(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

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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).