1-(4-methylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylsulfonylpiperazine

C15H30N4O4S2 — CID 6499818

IUPAC1-(4-methylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylsulfonylpiperazine
SMILESCC1CCN(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C15H30N4O4S2/c1-15-5-9-17(10-6-15)25(22,23)19-13-11-18(12-14-19)24(20,21)16-7-3-2-4-8-16/h15H,2-14H2,1H3
InChIKeyVDOHNNNSLSNEMQ-UHFFFAOYSA-N
MW394.56 g/mol
LogP0.31
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylsulfonylpiperazine

1-(4-methylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylsulfonylpiperazine (PubChem CID 6499818) has the molecular formula C15H30N4O4S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylsulfonylpiperazine
PubChem CID6499818
Molecular FormulaC15H30N4O4S2
Molecular Weight394.56 g/mol
Exact Mass394.17
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylsulfonylpiperazine
SMILESCC1CCN(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C15H30N4O4S2/c1-15-5-9-17(10-6-15)25(22,23)19-13-11-18(12-14-19)24(20,21)16-7-3-2-4-8-16/h15H,2-14H2,1H3
InChIKeyVDOHNNNSLSNEMQ-UHFFFAOYSA-N
XLogP0.31
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylsulfonylpiperazine?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylsulfonylpiperazine (CID 6499818) is 1-(4-methylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylsulfonylpiperazine?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylsulfonylpiperazine is CC1CCN(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylsulfonylpiperazine?
The InChIKey is VDOHNNNSLSNEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O4S2/c1-15-5-9-17(10-6-15)25(22,23)19-13-11-18(12-14-19)24(20,21)16-7-3-2-4-8-16/h15H,2-14H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylsulfonylpiperazine?
1-(4-methylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylsulfonylpiperazine has a molecular weight of 394.56 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 6499818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).