N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide

C14H17N3O2S — CID 104774049

IUPACN-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(N)C2)c2cccnc12
InChIInChI=1S/C14H17N3O2S/c1-9-4-5-13(12-3-2-6-16-14(9)12)20(18,19)17-11-7-10(15)8-11/h2-6,10-11,17H,7-8,15H2,1H3
InChIKeyHSFULBMVUAVHTQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.31
Rot. Bonds3

About N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide

N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide (PubChem CID 104774049) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide
PubChem CID104774049
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(N)C2)c2cccnc12
InChIInChI=1S/C14H17N3O2S/c1-9-4-5-13(12-3-2-6-16-14(9)12)20(18,19)17-11-7-10(15)8-11/h2-6,10-11,17H,7-8,15H2,1H3
InChIKeyHSFULBMVUAVHTQ-UHFFFAOYSA-N
XLogP1.31
TPSA85.08 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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-Quinolinesulfonamide
CID 94464
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
2,4,6-trimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 676052
2,4,6-trimethyl-N-(quinolin-8-yl)benzene-1-sulfonamide
CID 739450
2,4-dimethyl-N-(2-pyridinylmethyl)benzenesulfonamide
CID 775793
4-methyl-N-quinolin-6-ylbenzenesulfonamide
CID 268975
Benzenesulfonamide, 2,4,6-tris(1-methylethyl)-N-8-quinolinyl-
CID 1069411
Lopac-I-1392
CID 6603882
N-(3-indol-1-ylsulfonylphenyl)-1-methylpiperidin-4-amine
CID 16113330
N-[5-(5-fluoroindol-1-yl)sulfonyl-2-methylphenyl]-1-methylpiperidin-4-amine
CID 16113448
2,4,6-trimethyl-N-[(2S)-1-(quinolin-5-ylamino)propan-2-yl]benzenesulfonamide
CID 57651538
2,4,6-Trimethyl-N-{(1S)-1-methyl-2-[(8-methylquinolin-5-yl)amino]ethyl}benzenesulfonamide
CID 57651564

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide?
The IUPAC name of N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide (CID 104774049) is N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide?
The canonical SMILES for N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)NC2CC(N)C2)c2cccnc12.
What is the InChIKey of N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide?
The InChIKey is HSFULBMVUAVHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-4-5-13(12-3-2-6-16-14(9)12)20(18,19)17-11-7-10(15)8-11/h2-6,10-11,17H,7-8,15H2,1H3.
What are the key properties of N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide?
N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide is sourced from PubChem (CID 104774049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).