3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide

C16H23N5O2S — CID 134060163

IUPAC3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC(C)c2ccc(-n3cncn3)cc2)C1
InChIInChI=1S/C16H23N5O2S/c1-13-4-3-9-20(10-13)24(22,23)19-14(2)15-5-7-16(8-6-15)21-12-17-11-18-21/h5-8,11-14,19H,3-4,9-10H2,1-2H3
InChIKeyHJWGRGLRYYMKFN-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.89
Rot. Bonds5

About 3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide

3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide (PubChem CID 134060163) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide
PubChem CID134060163
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC(C)c2ccc(-n3cncn3)cc2)C1
InChIInChI=1S/C16H23N5O2S/c1-13-4-3-9-20(10-13)24(22,23)19-14(2)15-5-7-16(8-6-15)21-12-17-11-18-21/h5-8,11-14,19H,3-4,9-10H2,1-2H3
InChIKeyHJWGRGLRYYMKFN-UHFFFAOYSA-N
XLogP1.89
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide
CID 134002636
2,3,4,5,6-pentamethyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8815199
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclohexanecarboxamide
CID 17427032
4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8814747
2-cyclopentyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 41088887
2,6-difluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8815109
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 119271899
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide
CID 166308955
(3S)-1-N-phenyl-3-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1,3-dicarboxamide
CID 40811999
4-ethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8815254
3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 106021797
4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672318

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide?
The IUPAC name of 3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide (CID 134060163) is 3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NC(C)c2ccc(-n3cncn3)cc2)C1.
What is the InChIKey of 3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide?
The InChIKey is HJWGRGLRYYMKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-13-4-3-9-20(10-13)24(22,23)19-14(2)15-5-7-16(8-6-15)21-12-17-11-18-21/h5-8,11-14,19H,3-4,9-10H2,1-2H3.
What are the key properties of 3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide?
3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 134060163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).