[(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide

C11H16ClN3O2S — CID 97012606

IUPAC[(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@@H]1CCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H16ClN3O2S/c12-11-4-3-9(6-14-11)7-15-5-1-2-10(15)8-18(13,16)17/h3-4,6,10H,1-2,5,7-8H2,(H2,13,16,17)/t10-/m0/s1
InChIKeyGOGCQSYWQFCHBD-JTQLQIEISA-N
MW289.79 g/mol
LogP0.99
Rot. Bonds4

About [(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide

[(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide (PubChem CID 97012606) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is [(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide
PubChem CID97012606
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name[(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@@H]1CCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H16ClN3O2S/c12-11-4-3-9(6-14-11)7-15-5-1-2-10(15)8-18(13,16)17/h3-4,6,10H,1-2,5,7-8H2,(H2,13,16,17)/t10-/m0/s1
InChIKeyGOGCQSYWQFCHBD-JTQLQIEISA-N
XLogP0.99
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321888
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide
CID 122150909
1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine
CID 55167435
(6-chloro-3-pyridinyl)methyl (2S)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-2-carboxylate
CID 86329287
4-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 59299936
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
[1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide
CID 154861670
[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide
CID 146121289
N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79314477
[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol
CID 62208586
2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine
CID 178122205

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide?
The IUPAC name of [(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide (CID 97012606) is [(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide.
What is the SMILES notation for [(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide?
The canonical SMILES for [(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide is NS(=O)(=O)C[C@@H]1CCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of [(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide?
The InChIKey is GOGCQSYWQFCHBD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c12-11-4-3-9(6-14-11)7-15-5-1-2-10(15)8-18(13,16)17/h3-4,6,10H,1-2,5,7-8H2,(H2,13,16,17)/t10-/m0/s1.
What are the key properties of [(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide?
[(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide has a molecular weight of 289.79 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide is sourced from PubChem (CID 97012606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).