methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[3-(piperidin-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]ethyl]benzenesulfonamide;3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;sulfane

C51H84N12O11S3 — CID 159220536

About methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[3-(piperidin-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]ethyl]benzenesulfonamide;3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;sulfane

methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[3-(piperidin-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]ethyl]benzenesulfonamide;3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;sulfane (PubChem CID 159220536) has the molecular formula C51H84N12O11S3 and a molecular weight of 1137.51 g/mol. Its IUPAC name is methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[3-(piperidin-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]ethyl]benzenesulfonamide;3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;sulfane.

Molecular Properties

• Compound Name: methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[3-(piperidin-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]ethyl]benzenesulfonamide;3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;sulfane
• PubChem CID: 159220536
• Molecular Formula: C51H84N12O11S3
• Molecular Weight: 1137.51 g/mol
• Exact Mass: 1136.55
• IUPAC Name: methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[3-(piperidin-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]ethyl]benzenesulfonamide;3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;sulfane
• SMILES: C.C1CCN(Cc2nnc3n2CCNC3)CC1.COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCn3c(CN4CCCCC4)nnc3C2)c(C)c1.COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)O)c(C)c1.S
• InChI: InChI=1S/C25H38N6O5S.C14H21NO6S.C11H19N5.CH4.H2S/c1-19-14-21(35-4)15-20(2)25(19)37(33,34)28(3)12-13-36-18-24(32)30-10-11-31-22(26-27-23(31)17-30)16-29-8-6-5-7-9-29;1-10-7-12(20-4)8-11(2)14(10)22(18,19)15(3)5-6-21-9-13(16)17;1-2-5-15(6-3-1)9-11-14-13-10-8-12-4-7-16(10)11;;/h14-15H,5-13,16-18H2,1-4H3;7-8H,5-6,9H2,1-4H3,(H,16,17);12H,1-9H2;1H4;1H2
• InChIKey: KRPWVCDFLRTOAE-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 249.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1137.51
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[3-(piperidin-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]ethyl]benzenesulfonamide;3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;sulfane?

The IUPAC name of methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[3-(piperidin-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]ethyl]benzenesulfonamide;3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;sulfane (CID 159220536) is methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[3-(piperidin-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]ethyl]benzenesulfonamide;3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;sulfane.

What is the SMILES notation for methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[3-(piperidin-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]ethyl]benzenesulfonamide;3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;sulfane?

The canonical SMILES for methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[3-(piperidin-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]ethyl]benzenesulfonamide;3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;sulfane is C.C1CCN(Cc2nnc3n2CCNC3)CC1.COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCn3c(CN4CCCCC4)nnc3C2)c(C)c1.COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)O)c(C)c1.S.

What is the InChIKey of methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[3-(piperidin-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]ethyl]benzenesulfonamide;3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;sulfane?

The InChIKey is KRPWVCDFLRTOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O5S.C14H21NO6S.C11H19N5.CH4.H2S/c1-19-14-21(35-4)15-20(2)25(19)37(33,34)28(3)12-13-36-18-24(32)30-10-11-31-22(26-27-23(31)17-30)16-29-8-6-5-7-9-29;1-10-7-12(20-4)8-11(2)14(10)22(18,19)15(3)5-6-21-9-13(16)17;1-2-5-15(6-3-1)9-11-14-13-10-8-12-4-7-16(10)11;;/h14-15H,5-13,16-18H2,1-4H3;7-8H,5-6,9H2,1-4H3,(H,16,17);12H,1-9H2;1H4;1H2.

What are the key properties of methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[3-(piperidin-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]ethyl]benzenesulfonamide;3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;sulfane?

methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[3-(piperidin-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]ethyl]benzenesulfonamide;3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;sulfane has a molecular weight of 1137.51 g/mol, XLogP of 3.72, 20 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid;4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[3-(piperidin-1-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]ethyl]benzenesulfonamide;3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;sulfane is sourced from PubChem (CID 159220536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).