(3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide

C18H27N3O4S — CID 97348373

IUPAC(3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)ccn1
InChIInChI=1S/C18H27N3O4S/c1-25-17-11-14(8-9-19-17)12-20-26(23,24)16-7-4-10-21(13-16)18(22)15-5-2-3-6-15/h8-9,11,15-16,20H,2-7,10,12-13H2,1H3/t16-/m0/s1
InChIKeyHOKVGDJLXQLRSP-INIZCTEOSA-N
MW381.50 g/mol
LogP1.69
Rot. Bonds6

About (3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide

(3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide (PubChem CID 97348373) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is (3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
PubChem CID97348373
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name(3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)ccn1
InChIInChI=1S/C18H27N3O4S/c1-25-17-11-14(8-9-19-17)12-20-26(23,24)16-7-4-10-21(13-16)18(22)15-5-2-3-6-15/h8-9,11,15-16,20H,2-7,10,12-13H2,1H3/t16-/m0/s1
InChIKeyHOKVGDJLXQLRSP-INIZCTEOSA-N
XLogP1.69
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide?
The IUPAC name of (3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide (CID 97348373) is (3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide?
The canonical SMILES for (3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide is COc1cc(CNS(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)ccn1.
What is the InChIKey of (3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide?
The InChIKey is HOKVGDJLXQLRSP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-25-17-11-14(8-9-19-17)12-20-26(23,24)16-7-4-10-21(13-16)18(22)15-5-2-3-6-15/h8-9,11,15-16,20H,2-7,10,12-13H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide?
(3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide has a molecular weight of 381.50 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide is sourced from PubChem (CID 97348373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).