3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide

C15H21N5O2S — CID 99789561

IUPAC3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide
SMILESCn1nncc1S(=O)(=O)NC[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C15H21N5O2S/c1-19-15(12-16-18-19)23(21,22)17-11-14(20-9-5-6-10-20)13-7-3-2-4-8-13/h2-4,7-8,12,14,17H,5-6,9-11H2,1H3/t14-/m1/s1
InChIKeyMAEVKXYWBQZRND-CQSZACIVSA-N
MW335.43 g/mol
LogP0.93
Rot. Bonds6

About 3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide

3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide (PubChem CID 99789561) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide
PubChem CID99789561
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide
SMILESCn1nncc1S(=O)(=O)NC[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C15H21N5O2S/c1-19-15(12-16-18-19)23(21,22)17-11-14(20-9-5-6-10-20)13-7-3-2-4-8-13/h2-4,7-8,12,14,17H,5-6,9-11H2,1H3/t14-/m1/s1
InChIKeyMAEVKXYWBQZRND-CQSZACIVSA-N
XLogP0.93
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499811
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559247
4-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 134017270
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide
CID 94177877
4-chloro-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 55689576
1,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]pyrazole-4-sulfonamide
CID 51853490
2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide
CID 107651678
2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110357461
3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide
CID 120876964
4-methyl-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
CID 154745470
2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide
CID 110356277

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide?
The IUPAC name of 3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide (CID 99789561) is 3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide?
The canonical SMILES for 3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide is Cn1nncc1S(=O)(=O)NC[C@H](c1ccccc1)N1CCCC1.
What is the InChIKey of 3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide?
The InChIKey is MAEVKXYWBQZRND-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-19-15(12-16-18-19)23(21,22)17-11-14(20-9-5-6-10-20)13-7-3-2-4-8-13/h2-4,7-8,12,14,17H,5-6,9-11H2,1H3/t14-/m1/s1.
What are the key properties of 3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide?
3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide is sourced from PubChem (CID 99789561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).