N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide

C14H23N3O2S — CID 125443435

IUPACN-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide
SMILESCC(C)C[C@H](NS(=O)(=O)N1CCCC1)c1cccnc1
InChIInChI=1S/C14H23N3O2S/c1-12(2)10-14(13-6-5-7-15-11-13)16-20(18,19)17-8-3-4-9-17/h5-7,11-12,14,16H,3-4,8-10H2,1-2H3/t14-/m0/s1
InChIKeyQIABDXJQORRZDW-AWEZNQCLSA-N
MW297.42 g/mol
LogP2.10
Rot. Bonds6

About N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide

N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide (PubChem CID 125443435) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide
PubChem CID125443435
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide
SMILESCC(C)C[C@H](NS(=O)(=O)N1CCCC1)c1cccnc1
InChIInChI=1S/C14H23N3O2S/c1-12(2)10-14(13-6-5-7-15-11-13)16-20(18,19)17-8-3-4-9-17/h5-7,11-12,14,16H,3-4,8-10H2,1-2H3/t14-/m0/s1
InChIKeyQIABDXJQORRZDW-AWEZNQCLSA-N
XLogP2.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-pyridin-3-ylethyl]morpholine-4-sulfonamide
CID 94177903
4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide
CID 122560524
2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide
CID 131902634
N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide
CID 61124934
N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide
CID 63183108
1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine
CID 131948668
2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide
CID 97203687
1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide
CID 135106046
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125168942
3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine
CID 11163071
1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43768120
4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162991

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide (CID 125443435) is N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide is CC(C)C[C@H](NS(=O)(=O)N1CCCC1)c1cccnc1.
What is the InChIKey of N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide?
The InChIKey is QIABDXJQORRZDW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-12(2)10-14(13-6-5-7-15-11-13)16-20(18,19)17-8-3-4-9-17/h5-7,11-12,14,16H,3-4,8-10H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide?
N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 125443435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).