N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine

C11H19NO2S2 — CID 65246063

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCc1cc(CNC(C)CS(C)(=O)=O)sc1C
InChIInChI=1S/C11H19NO2S2/c1-8-5-11(15-10(8)3)6-12-9(2)7-16(4,13)14/h5,9,12H,6-7H2,1-4H3
InChIKeyDCCZRRWGGOLWLT-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.89
Rot. Bonds5

About N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 65246063) has the molecular formula C11H19NO2S2 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine
PubChem CID65246063
Molecular FormulaC11H19NO2S2
Molecular Weight261.41 g/mol
Exact Mass261.09
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCc1cc(CNC(C)CS(C)(=O)=O)sc1C
InChIInChI=1S/C11H19NO2S2/c1-8-5-11(15-10(8)3)6-12-9(2)7-16(4,13)14/h5,9,12H,6-7H2,1-4H3
InChIKeyDCCZRRWGGOLWLT-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine 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-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine (CID 65246063) is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine is Cc1cc(CNC(C)CS(C)(=O)=O)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is DCCZRRWGGOLWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S2/c1-8-5-11(15-10(8)3)6-12-9(2)7-16(4,13)14/h5,9,12H,6-7H2,1-4H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 65246063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).