3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide

C9H15ClN2O2S — CID 107297678

IUPAC3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide
SMILESO=C(CCCl)NC(=O)NCC1CCSC1
InChIInChI=1S/C9H15ClN2O2S/c10-3-1-8(13)12-9(14)11-5-7-2-4-15-6-7/h7H,1-6H2,(H2,11,12,13,14)
InChIKeyQLDBEOXOTYLIKF-UHFFFAOYSA-N
MW250.75 g/mol
LogP1.19
Rot. Bonds4

About 3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide

3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide (PubChem CID 107297678) has the molecular formula C9H15ClN2O2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide
PubChem CID107297678
Molecular FormulaC9H15ClN2O2S
Molecular Weight250.75 g/mol
Exact Mass250.05
IUPAC Name3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide
SMILESO=C(CCCl)NC(=O)NCC1CCSC1
InChIInChI=1S/C9H15ClN2O2S/c10-3-1-8(13)12-9(14)11-5-7-2-4-15-6-7/h7H,1-6H2,(H2,11,12,13,14)
InChIKeyQLDBEOXOTYLIKF-UHFFFAOYSA-N
XLogP1.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide 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

N-(thiolan-3-ylmethyl)butanamide
CID 107298413
1-cyclopropyl-3-(thiolan-3-ylmethyl)urea
CID 107295545
3-(thiolan-3-ylmethylcarbamoylamino)propanoic acid
CID 107297506
4-hydroxy-N-(thiolan-3-ylmethyl)butanamide
CID 107298400
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
N-(thiolan-3-ylmethyl)prop-2-enamide
CID 107295518
5-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297414
2-hydroxy-3-(thiolan-3-ylmethylcarbamoylamino)propanoic acid
CID 107297615
1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea
CID 107295552
1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107296095
4-methyl-5-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297551
4-methyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297600

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide?
The IUPAC name of 3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide (CID 107297678) is 3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide.
What is the SMILES notation for 3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide?
The canonical SMILES for 3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide is O=C(CCCl)NC(=O)NCC1CCSC1.
What is the InChIKey of 3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide?
The InChIKey is QLDBEOXOTYLIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2S/c10-3-1-8(13)12-9(14)11-5-7-2-4-15-6-7/h7H,1-6H2,(H2,11,12,13,14).
What are the key properties of 3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide?
3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide has a molecular weight of 250.75 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide is sourced from PubChem (CID 107297678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).