N-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C17H27N5OS — CID 42893564

IUPACN-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCC(Sc1nnc(N2CCCC2)n1C1CC1)C(=O)NC1CCCC1
InChIInChI=1S/C17H27N5OS/c1-12(15(23)18-13-6-2-3-7-13)24-17-20-19-16(21-10-4-5-11-21)22(17)14-8-9-14/h12-14H,2-11H2,1H3,(H,18,23)
InChIKeyOMZUCYYKRIXCTR-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.75
Rot. Bonds6

About N-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

N-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 42893564) has the molecular formula C17H27N5OS and a molecular weight of 349.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID42893564
Molecular FormulaC17H27N5OS
Molecular Weight349.50 g/mol
Exact Mass349.19
IUPAC NameN-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCC(Sc1nnc(N2CCCC2)n1C1CC1)C(=O)NC1CCCC1
InChIInChI=1S/C17H27N5OS/c1-12(15(23)18-13-6-2-3-7-13)24-17-20-19-16(21-10-4-5-11-21)22(17)14-8-9-14/h12-14H,2-11H2,1H3,(H,18,23)
InChIKeyOMZUCYYKRIXCTR-UHFFFAOYSA-N
XLogP2.75
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide 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-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of N-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 42893564) is N-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is CC(Sc1nnc(N2CCCC2)n1C1CC1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is OMZUCYYKRIXCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5OS/c1-12(15(23)18-13-6-2-3-7-13)24-17-20-19-16(21-10-4-5-11-21)22(17)14-8-9-14/h12-14H,2-11H2,1H3,(H,18,23).
What are the key properties of N-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
N-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 349.50 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 42893564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).