N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide

C12H17NO3S2 — CID 39952187

IUPACN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide
SMILESC[C@]1(NC(=O)CCc2ccsc2)CCS(=O)(=O)C1
InChIInChI=1S/C12H17NO3S2/c1-12(5-7-18(15,16)9-12)13-11(14)3-2-10-4-6-17-8-10/h4,6,8H,2-3,5,7,9H2,1H3,(H,13,14)/t12-/m0/s1
InChIKeyUNKBOHYGMHIEFS-LBPRGKRZSA-N
MW287.41 g/mol
LogP1.37
Rot. Bonds4

About N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide

N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide (PubChem CID 39952187) has the molecular formula C12H17NO3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide
PubChem CID39952187
Molecular FormulaC12H17NO3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC NameN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide
SMILESC[C@]1(NC(=O)CCc2ccsc2)CCS(=O)(=O)C1
InChIInChI=1S/C12H17NO3S2/c1-12(5-7-18(15,16)9-12)13-11(14)3-2-10-4-6-17-8-10/h4,6,8H,2-3,5,7,9H2,1H3,(H,13,14)/t12-/m0/s1
InChIKeyUNKBOHYGMHIEFS-LBPRGKRZSA-N
XLogP1.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide 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-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide (CID 39952187) is N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide is C[C@]1(NC(=O)CCc2ccsc2)CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide?
The InChIKey is UNKBOHYGMHIEFS-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO3S2/c1-12(5-7-18(15,16)9-12)13-11(14)3-2-10-4-6-17-8-10/h4,6,8H,2-3,5,7,9H2,1H3,(H,13,14)/t12-/m0/s1.
What are the key properties of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide?
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide has a molecular weight of 287.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 39952187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).