(3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide

C18H26ClN3O3S — CID 97348392

IUPAC(3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide
SMILESCN(Cc1ccc(Cl)nc1)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C18H26ClN3O3S/c1-21(12-14-8-9-17(19)20-11-14)26(24,25)16-7-4-10-22(13-16)18(23)15-5-2-3-6-15/h8-9,11,15-16H,2-7,10,12-13H2,1H3/t16-/m1/s1
InChIKeyLZTHONBMCSFALT-MRXNPFEDSA-N
MW399.94 g/mol
LogP2.68
Rot. Bonds5

About (3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide

(3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide (PubChem CID 97348392) has the molecular formula C18H26ClN3O3S and a molecular weight of 399.94 g/mol. Its IUPAC name is (3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide
PubChem CID97348392
Molecular FormulaC18H26ClN3O3S
Molecular Weight399.94 g/mol
Exact Mass399.14
IUPAC Name(3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide
SMILESCN(Cc1ccc(Cl)nc1)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C18H26ClN3O3S/c1-21(12-14-8-9-17(19)20-11-14)26(24,25)16-7-4-10-22(13-16)18(23)15-5-2-3-6-15/h8-9,11,15-16H,2-7,10,12-13H2,1H3/t16-/m1/s1
InChIKeyLZTHONBMCSFALT-MRXNPFEDSA-N
XLogP2.68
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.94
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide
CID 97348237
(3S)-3-[4-[(6-chloro-3-pyridinyl)methyl]piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 97201196
(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide
CID 97348227
N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide
CID 97348337
tert-butyl 3-[(6-chloro-3-pyridinyl)methylsulfonyl]piperidine-1-carboxylate
CID 71630952
1-(cyclopentanecarbonyl)piperidine-3-sulfonyl chloride
CID 75480497
4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid
CID 105360749
1-[(3R)-3-[(6-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95804473
1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide
CID 75476220
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide
CID 78851154
1-[(4S)-4-[(6-chloro-3-pyridinyl)methyl]azepan-1-yl]ethanone
CID 95804799
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide
CID 97208737

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide?
The IUPAC name of (3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide (CID 97348392) is (3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide.
What is the SMILES notation for (3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide?
The canonical SMILES for (3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide is CN(Cc1ccc(Cl)nc1)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1.
What is the InChIKey of (3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide?
The InChIKey is LZTHONBMCSFALT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26ClN3O3S/c1-21(12-14-8-9-17(19)20-11-14)26(24,25)16-7-4-10-22(13-16)18(23)15-5-2-3-6-15/h8-9,11,15-16H,2-7,10,12-13H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide?
(3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide has a molecular weight of 399.94 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide is sourced from PubChem (CID 97348392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).