8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide

C14H17N3O2S — CID 104774085

IUPAC8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCNC2)c2cccnc12
InChIInChI=1S/C14H17N3O2S/c1-10-4-5-13(12-3-2-7-16-14(10)12)20(18,19)17-11-6-8-15-9-11/h2-5,7,11,15,17H,6,8-9H2,1H3/t11-/m0/s1
InChIKeyBJQVOMKCHDYTIU-NSHDSACASA-N
MW291.38 g/mol
LogP1.18
Rot. Bonds3

About 8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide

8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide (PubChem CID 104774085) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide
PubChem CID104774085
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCNC2)c2cccnc12
InChIInChI=1S/C14H17N3O2S/c1-10-4-5-13(12-3-2-7-16-14(10)12)20(18,19)17-11-6-8-15-9-11/h2-5,7,11,15,17H,6,8-9H2,1H3/t11-/m0/s1
InChIKeyBJQVOMKCHDYTIU-NSHDSACASA-N
XLogP1.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
1-(p-Toluenesulfonyl)tryptamine
CID 14571158
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzene-1-sulfonamide
CID 24825382
4-pentyl-N-{2-[2-(quinolin-3-yl)-1H-indol-3-yl]ethyl}benzene-1-sulfonamide
CID 24825410
2,4,6-trimethyl-N-(quinolin-8-yl)benzene-1-sulfonamide
CID 739450
N-(pyrrolidin-3-yl)isoquinoline-5-sulfonamide
CID 11334904
N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
CID 71462621
2,4-dimethyl-N-(2-pyridinylmethyl)benzenesulfonamide
CID 775793
2,3,4-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 802156
1-(2,4,6-Trimethylphenyl)sulfonylindole
CID 919981
Benzenesulfonamide, 2,4,6-tris(1-methylethyl)-N-8-quinolinyl-
CID 1069411
Lopac-I-1392
CID 6603882

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide?
The IUPAC name of 8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide (CID 104774085) is 8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide.
What is the SMILES notation for 8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide?
The canonical SMILES for 8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2CCNC2)c2cccnc12.
What is the InChIKey of 8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide?
The InChIKey is BJQVOMKCHDYTIU-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-4-5-13(12-3-2-7-16-14(10)12)20(18,19)17-11-6-8-15-9-11/h2-5,7,11,15,17H,6,8-9H2,1H3/t11-/m0/s1.
What are the key properties of 8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide?
8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide is sourced from PubChem (CID 104774085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).