N,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide

C10H15NO3S2 — CID 71974848

IUPACN,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide
SMILESCC(Cc1cccs1)C(=O)N(C)S(C)(=O)=O
InChIInChI=1S/C10H15NO3S2/c1-8(7-9-5-4-6-15-9)10(12)11(2)16(3,13)14/h4-6,8H,7H2,1-3H3
InChIKeyBZKBJALKTWGQQJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.34
Rot. Bonds4

About N,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide

N,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide (PubChem CID 71974848) has the molecular formula C10H15NO3S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide
PubChem CID71974848
Molecular FormulaC10H15NO3S2
Molecular Weight261.37 g/mol
Exact Mass261.05
IUPAC NameN,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide
SMILESCC(Cc1cccs1)C(=O)N(C)S(C)(=O)=O
InChIInChI=1S/C10H15NO3S2/c1-8(7-9-5-4-6-15-9)10(12)11(2)16(3,13)14/h4-6,8H,7H2,1-3H3
InChIKeyBZKBJALKTWGQQJ-UHFFFAOYSA-N
XLogP1.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,2-dimethyl-N-methylsulfonyl-3-thiophen-2-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,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide?
The IUPAC name of N,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide (CID 71974848) is N,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for N,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide is CC(Cc1cccs1)C(=O)N(C)S(C)(=O)=O.
What is the InChIKey of N,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide?
The InChIKey is BZKBJALKTWGQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S2/c1-8(7-9-5-4-6-15-9)10(12)11(2)16(3,13)14/h4-6,8H,7H2,1-3H3.
What are the key properties of N,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide?
N,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-methylsulfonyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 71974848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).