N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide

C16H17N3O2S — CID 60579966

IUPACN-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCC#N)C2CC2)c2cccnc12
InChIInChI=1S/C16H17N3O2S/c1-12-5-8-15(14-4-2-10-18-16(12)14)22(20,21)19(11-3-9-17)13-6-7-13/h2,4-5,8,10,13H,3,6-7,11H2,1H3
InChIKeyHXRGDOZFPPBQKM-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.61
Rot. Bonds5

About N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide

N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide (PubChem CID 60579966) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide
PubChem CID60579966
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCC#N)C2CC2)c2cccnc12
InChIInChI=1S/C16H17N3O2S/c1-12-5-8-15(14-4-2-10-18-16(12)14)22(20,21)19(11-3-9-17)13-6-7-13/h2,4-5,8,10,13H,3,6-7,11H2,1H3
InChIKeyHXRGDOZFPPBQKM-UHFFFAOYSA-N
XLogP2.61
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide (CID 60579966) is N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)N(CCC#N)C2CC2)c2cccnc12.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide?
The InChIKey is HXRGDOZFPPBQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-12-5-8-15(14-4-2-10-18-16(12)14)22(20,21)19(11-3-9-17)13-6-7-13/h2,4-5,8,10,13H,3,6-7,11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide?
N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide is sourced from PubChem (CID 60579966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).