N-(2-methoxycyclopentyl)-3-sulfanylpropanamide

C9H17NO2S — CID 107027892

IUPACN-(2-methoxycyclopentyl)-3-sulfanylpropanamide
SMILESCOC1CCCC1NC(=O)CCS
InChIInChI=1S/C9H17NO2S/c1-12-8-4-2-3-7(8)10-9(11)5-6-13/h7-8,13H,2-6H2,1H3,(H,10,11)
InChIKeyCWXFYQCYWDYTOU-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.99
Rot. Bonds4

About N-(2-methoxycyclopentyl)-3-sulfanylpropanamide

N-(2-methoxycyclopentyl)-3-sulfanylpropanamide (PubChem CID 107027892) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(2-methoxycyclopentyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methoxycyclopentyl)-3-sulfanylpropanamide
PubChem CID107027892
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-(2-methoxycyclopentyl)-3-sulfanylpropanamide
SMILESCOC1CCCC1NC(=O)CCS
InChIInChI=1S/C9H17NO2S/c1-12-8-4-2-3-7(8)10-9(11)5-6-13/h7-8,13H,2-6H2,1H3,(H,10,11)
InChIKeyCWXFYQCYWDYTOU-UHFFFAOYSA-N
XLogP0.99
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(2-methoxycyclopentyl)-3-sulfanylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

5-amino-N-(2-methoxycyclopentyl)-4-methylpentanamide
CID 82010981
N-(2-methoxycyclopentyl)-2-propan-2-yloxyacetamide
CID 112699101
N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide
CID 96541296
N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide
CID 106367884
N-(2-methoxycyclopentyl)-2-(prop-2-enylamino)acetamide
CID 79277800
N-[(1R,2R)-2-methoxycyclopentyl]-2-methylpropanamide
CID 130650913
1,1-diethyl-3-(2-methoxycyclopentyl)urea
CID 115693925
N-(2-methoxycyclopentyl)-2-piperidin-2-ylacetamide
CID 62087184
1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 62086582
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methoxycyclopentyl)acetamide
CID 79614744
2,2-difluoro-N-(2-methoxycyclopentyl)acetamide
CID 103515439
2-hydroxy-N-[(1R,2R)-2-methoxycyclopentyl]propanamide
CID 130831737

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclopentyl)-3-sulfanylpropanamide?
The IUPAC name of N-(2-methoxycyclopentyl)-3-sulfanylpropanamide (CID 107027892) is N-(2-methoxycyclopentyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(2-methoxycyclopentyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(2-methoxycyclopentyl)-3-sulfanylpropanamide is COC1CCCC1NC(=O)CCS.
What is the InChIKey of N-(2-methoxycyclopentyl)-3-sulfanylpropanamide?
The InChIKey is CWXFYQCYWDYTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-12-8-4-2-3-7(8)10-9(11)5-6-13/h7-8,13H,2-6H2,1H3,(H,10,11).
What are the key properties of N-(2-methoxycyclopentyl)-3-sulfanylpropanamide?
N-(2-methoxycyclopentyl)-3-sulfanylpropanamide has a molecular weight of 203.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclopentyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107027892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).