N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide

C17H23N3O2S — CID 120585099

IUPACN-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NC(CN)C3CCCC3)cccc2c1
InChIInChI=1S/C17H23N3O2S/c1-12-9-14-7-4-8-16(17(14)19-11-12)23(21,22)20-15(10-18)13-5-2-3-6-13/h4,7-9,11,13,15,20H,2-3,5-6,10,18H2,1H3
InChIKeyAFEQLPYQHGAPJQ-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.34
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide

N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide (PubChem CID 120585099) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide
PubChem CID120585099
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NC(CN)C3CCCC3)cccc2c1
InChIInChI=1S/C17H23N3O2S/c1-12-9-14-7-4-8-16(17(14)19-11-12)23(21,22)20-15(10-18)13-5-2-3-6-13/h4,7-9,11,13,15,20H,2-3,5-6,10,18H2,1H3
InChIKeyAFEQLPYQHGAPJQ-UHFFFAOYSA-N
XLogP2.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride
CID 119986825
N-(2-amino-1-cyclopentylethyl)quinoline-8-sulfonamide;hydrochloride
CID 120584995
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide
CID 86804960
N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide
CID 104981956
N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
CID 106737809
N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 120585153
3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide
CID 46518023
3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride
CID 119960624
3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide
CID 80562775
3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide
CID 94799039

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide (CID 120585099) is N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NC(CN)C3CCCC3)cccc2c1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide?
The InChIKey is AFEQLPYQHGAPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-9-14-7-4-8-16(17(14)19-11-12)23(21,22)20-15(10-18)13-5-2-3-6-13/h4,7-9,11,13,15,20H,2-3,5-6,10,18H2,1H3.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide?
N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide has a molecular weight of 333.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 120585099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).