5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide

C15H19N3O2S — CID 104850349

IUPAC5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide
SMILESNc1ccc(S(=O)(=O)NCC2CCCC2)c2ncccc12
InChIInChI=1S/C15H19N3O2S/c16-13-7-8-14(15-12(13)6-3-9-17-15)21(19,20)18-10-11-4-1-2-5-11/h3,6-9,11,18H,1-2,4-5,10,16H2
InChIKeyYSWFVXORZMAOQO-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.29
Rot. Bonds4

About 5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide

5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide (PubChem CID 104850349) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide
PubChem CID104850349
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide
SMILESNc1ccc(S(=O)(=O)NCC2CCCC2)c2ncccc12
InChIInChI=1S/C15H19N3O2S/c16-13-7-8-14(15-12(13)6-3-9-17-15)21(19,20)18-10-11-4-1-2-5-11/h3,6-9,11,18H,1-2,4-5,10,16H2
InChIKeyYSWFVXORZMAOQO-UHFFFAOYSA-N
XLogP2.29
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide
CID 104850364
5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 22932490
5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide
CID 104850286
3-amino-N-(cyclobutylmethyl)pyridine-2-sulfonamide
CID 103304498
methyl 3-[(5-aminoquinolin-8-yl)sulfonylamino]propanoate
CID 104850376
4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide
CID 104850380
5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide
CID 106413888
5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide
CID 104850425
5-N-(cyclohexylmethyl)quinoline-5,8-diamine
CID 43449567
N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62145518
5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide
CID 104850522
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62145695

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide?
The IUPAC name of 5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide (CID 104850349) is 5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide.
What is the SMILES notation for 5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide?
The canonical SMILES for 5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide is Nc1ccc(S(=O)(=O)NCC2CCCC2)c2ncccc12.
What is the InChIKey of 5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide?
The InChIKey is YSWFVXORZMAOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c16-13-7-8-14(15-12(13)6-3-9-17-15)21(19,20)18-10-11-4-1-2-5-11/h3,6-9,11,18H,1-2,4-5,10,16H2.
What are the key properties of 5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide?
5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 104850349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).