3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide

C13H18ClNO2S — CID 124733721

IUPAC3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide
SMILESCC[C@H](NC(=O)c1sccc1Cl)C1CCOCC1
InChIInChI=1S/C13H18ClNO2S/c1-2-11(9-3-6-17-7-4-9)15-13(16)12-10(14)5-8-18-12/h5,8-9,11H,2-4,6-7H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyLKCIIUTXYNLXCX-NSHDSACASA-N
MW287.81 g/mol
LogP3.34
Rot. Bonds4

About 3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide

3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide (PubChem CID 124733721) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide
PubChem CID124733721
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide
SMILESCC[C@H](NC(=O)c1sccc1Cl)C1CCOCC1
InChIInChI=1S/C13H18ClNO2S/c1-2-11(9-3-6-17-7-4-9)15-13(16)12-10(14)5-8-18-12/h5,8-9,11H,2-4,6-7H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyLKCIIUTXYNLXCX-NSHDSACASA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide 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 3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide (CID 124733721) is 3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide is CC[C@H](NC(=O)c1sccc1Cl)C1CCOCC1.
What is the InChIKey of 3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide?
The InChIKey is LKCIIUTXYNLXCX-NSHDSACASA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-2-11(9-3-6-17-7-4-9)15-13(16)12-10(14)5-8-18-12/h5,8-9,11H,2-4,6-7H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide?
3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide has a molecular weight of 287.81 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S)-1-(oxan-4-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 124733721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).