2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide

C14H25N5O3S — CID 46957626

IUPAC2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC1CCCCN1S(=O)(=O)CCNC(=O)C(C)(C)n1cncn1
InChIInChI=1S/C14H25N5O3S/c1-12-6-4-5-8-18(12)23(21,22)9-7-16-13(20)14(2,3)19-11-15-10-17-19/h10-12H,4-9H2,1-3H3,(H,16,20)
InChIKeyBPMCVTFOLOVGMG-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.33
Rot. Bonds6

About 2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide

2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 46957626) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID46957626
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC Name2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC1CCCCN1S(=O)(=O)CCNC(=O)C(C)(C)n1cncn1
InChIInChI=1S/C14H25N5O3S/c1-12-6-4-5-8-18(12)23(21,22)9-7-16-13(20)14(2,3)19-11-15-10-17-19/h10-12H,4-9H2,1-3H3,(H,16,20)
InChIKeyBPMCVTFOLOVGMG-UHFFFAOYSA-N
XLogP0.33
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 138008906
N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 47036551
N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 47937369
N-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide
CID 47937381
1-(4-Ethylsulfonylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 49618652
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothian-4-yl)acetamide
CID 54901620
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 61015789
N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 61066699
N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]methanesulfonamide
CID 61105162
N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 61106034
N-[[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 61106764
N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 61108452

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of 2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 46957626) is 2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide is CC1CCCCN1S(=O)(=O)CCNC(=O)C(C)(C)n1cncn1.
What is the InChIKey of 2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is BPMCVTFOLOVGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-12-6-4-5-8-18(12)23(21,22)9-7-16-13(20)14(2,3)19-11-15-10-17-19/h10-12H,4-9H2,1-3H3,(H,16,20).
What are the key properties of 2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide?
2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 343.45 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 46957626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).