2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine

C9H15NO2S2 — CID 81189148

IUPAC2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine
SMILESCC(C)(N)CS(=O)(=O)Cc1ccsc1
InChIInChI=1S/C9H15NO2S2/c1-9(2,10)7-14(11,12)6-8-3-4-13-5-8/h3-5H,6-7,10H2,1-2H3
InChIKeyFWPWHIQWIIHIGE-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.40
Rot. Bonds4

About 2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine

2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine (PubChem CID 81189148) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine
PubChem CID81189148
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC Name2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine
SMILESCC(C)(N)CS(=O)(=O)Cc1ccsc1
InChIInChI=1S/C9H15NO2S2/c1-9(2,10)7-14(11,12)6-8-3-4-13-5-8/h3-5H,6-7,10H2,1-2H3
InChIKeyFWPWHIQWIIHIGE-UHFFFAOYSA-N
XLogP1.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-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

Related Compounds

4-[(2-amino-2-methylpropyl)sulfonylmethyl]benzonitrile
CID 81188216
2-methyl-1-[[4-(trifluoromethoxy)phenyl]methylsulfonyl]propan-2-amine
CID 81189605
2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid
CID 83148678
2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine
CID 62723704
2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine
CID 62622769
4-(thiophen-3-ylmethylsulfonyl)aniline
CID 61368603
3-(benzenesulfonylmethyl)thiophene
CID 14632150
2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine
CID 66229730
4-[(2-amino-2-methylpropyl)sulfonylmethyl]pyridine-2-carbonitrile
CID 81189261
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate
CID 164676208
3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene
CID 79453790

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine (CID 81189148) is 2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine is CC(C)(N)CS(=O)(=O)Cc1ccsc1.
What is the InChIKey of 2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine?
The InChIKey is FWPWHIQWIIHIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-9(2,10)7-14(11,12)6-8-3-4-13-5-8/h3-5H,6-7,10H2,1-2H3.
What are the key properties of 2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine?
2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine is sourced from PubChem (CID 81189148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).