2-(cyclopenten-1-ylmethylsulfanyl)acetamide

C8H13NOS — CID 146081497

IUPAC2-(cyclopenten-1-ylmethylsulfanyl)acetamide
SMILESNC(=O)CSCC1=CCCC1
InChIInChI=1S/C8H13NOS/c9-8(10)6-11-5-7-3-1-2-4-7/h3H,1-2,4-6H2,(H2,9,10)
InChIKeyZVPVHVASFXZRFM-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.32
Rot. Bonds4

About 2-(cyclopenten-1-ylmethylsulfanyl)acetamide

2-(cyclopenten-1-ylmethylsulfanyl)acetamide (PubChem CID 146081497) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-(cyclopenten-1-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound Name2-(cyclopenten-1-ylmethylsulfanyl)acetamide
PubChem CID146081497
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name2-(cyclopenten-1-ylmethylsulfanyl)acetamide
SMILESNC(=O)CSCC1=CCCC1
InChIInChI=1S/C8H13NOS/c9-8(10)6-11-5-7-3-1-2-4-7/h3H,1-2,4-6H2,(H2,9,10)
InChIKeyZVPVHVASFXZRFM-UHFFFAOYSA-N
XLogP1.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclopenten-1-ylmethylsulfanyl)acetamide 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

4-(cyclohexen-1-yl)butanamide
CID 165359181
1-(methylsulfanylmethyl)cyclopentene
CID 54104763
(2S)-2-amino-3-(cyclohexen-1-yl)propanoate
CID 153456167
(1E)-1-(methylsulfanylmethyl)cyclooctene
CID 87205341
5-(cyclopenten-1-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine
CID 130826336
ethyl 2-(cycloocten-1-yl)acetate
CID 67663931
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
2-(cyclohexen-1-yl)ethanethioamide
CID 82668044
ethyl 2-[(6-oxocyclohexen-1-yl)methylsulfanyl]acetate
CID 125484028
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
ethyl 4-(cyclopenten-1-yl)-3-oxobutanoate
CID 154212044
ethyl 3-(cyclohepten-1-yl)propanoate
CID 135031394

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-ylmethylsulfanyl)acetamide?
The IUPAC name of 2-(cyclopenten-1-ylmethylsulfanyl)acetamide (CID 146081497) is 2-(cyclopenten-1-ylmethylsulfanyl)acetamide.
What is the SMILES notation for 2-(cyclopenten-1-ylmethylsulfanyl)acetamide?
The canonical SMILES for 2-(cyclopenten-1-ylmethylsulfanyl)acetamide is NC(=O)CSCC1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-ylmethylsulfanyl)acetamide?
The InChIKey is ZVPVHVASFXZRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c9-8(10)6-11-5-7-3-1-2-4-7/h3H,1-2,4-6H2,(H2,9,10).
What are the key properties of 2-(cyclopenten-1-ylmethylsulfanyl)acetamide?
2-(cyclopenten-1-ylmethylsulfanyl)acetamide has a molecular weight of 171.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 146081497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).