(3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide

C16H23N5O2S — CID 95761624

IUPAC(3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide
SMILESCc1nccn1-c1ccc(CNS(=O)(=O)N2CCC[C@H](C)C2)cn1
InChIInChI=1S/C16H23N5O2S/c1-13-4-3-8-20(12-13)24(22,23)19-11-15-5-6-16(18-10-15)21-9-7-17-14(21)2/h5-7,9-10,13,19H,3-4,8,11-12H2,1-2H3/t13-/m0/s1
InChIKeyZHGVONZKWSOAIR-ZDUSSCGKSA-N
MW349.46 g/mol
LogP1.64
Rot. Bonds5

About (3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide

(3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide (PubChem CID 95761624) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is (3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide
PubChem CID95761624
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name(3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide
SMILESCc1nccn1-c1ccc(CNS(=O)(=O)N2CCC[C@H](C)C2)cn1
InChIInChI=1S/C16H23N5O2S/c1-13-4-3-8-20(12-13)24(22,23)19-11-15-5-6-16(18-10-15)21-9-7-17-14(21)2/h5-7,9-10,13,19H,3-4,8,11-12H2,1-2H3/t13-/m0/s1
InChIKeyZHGVONZKWSOAIR-ZDUSSCGKSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide with MolForge

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Related Compounds

5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
CID 81092682
(3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35323796
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35388805
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide
CID 62354332
(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide
CID 35609636
(2S,4S)-2-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120633628
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 119848284
2-methyl-1-(4-methylcyclohexyl)-3-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111256632
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848271
1-ethylsulfonyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 50945213

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide?
The IUPAC name of (3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide (CID 95761624) is (3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide?
The canonical SMILES for (3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide is Cc1nccn1-c1ccc(CNS(=O)(=O)N2CCC[C@H](C)C2)cn1.
What is the InChIKey of (3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide?
The InChIKey is ZHGVONZKWSOAIR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-13-4-3-8-20(12-13)24(22,23)19-11-15-5-6-16(18-10-15)21-9-7-17-14(21)2/h5-7,9-10,13,19H,3-4,8,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide?
(3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 95761624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).