N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide

C16H21N3O2S — CID 119980863

IUPACN-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(CN)CCCC2)c2cccnc12
InChIInChI=1S/C16H21N3O2S/c1-12-6-7-14(13-5-4-10-18-15(12)13)22(20,21)19-16(11-17)8-2-3-9-16/h4-7,10,19H,2-3,8-9,11,17H2,1H3
InChIKeyVLBHIYFXOCRGPP-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.09
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide

N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide (PubChem CID 119980863) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide
PubChem CID119980863
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(CN)CCCC2)c2cccnc12
InChIInChI=1S/C16H21N3O2S/c1-12-6-7-14(13-5-4-10-18-15(12)13)22(20,21)19-16(11-17)8-2-3-9-16/h4-7,10,19H,2-3,8-9,11,17H2,1H3
InChIKeyVLBHIYFXOCRGPP-UHFFFAOYSA-N
XLogP2.09
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(p-Toluenesulfonylamino)quinoline
CID 82533
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
1-(p-Toluenesulfonyl)tryptamine
CID 14571158
9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 16759925
2,4,6-trimethyl-N-(quinolin-8-yl)benzene-1-sulfonamide
CID 739450
2,4-dimethyl-N-(2-pyridinylmethyl)benzenesulfonamide
CID 775793
2,3,4-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 802156
4-methyl-N-quinolin-6-ylbenzenesulfonamide
CID 268975
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
N-(1-(1H-indol-3-yl)propan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 9820084

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide (CID 119980863) is N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)NC2(CN)CCCC2)c2cccnc12.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide?
The InChIKey is VLBHIYFXOCRGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12-6-7-14(13-5-4-10-18-15(12)13)22(20,21)19-16(11-17)8-2-3-9-16/h4-7,10,19H,2-3,8-9,11,17H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide is sourced from PubChem (CID 119980863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).