2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine

C10H17NO2S2 — CID 104991379

IUPAC2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine
SMILESCc1cc(C(N)C(C)(C)S(C)(=O)=O)cs1
InChIInChI=1S/C10H17NO2S2/c1-7-5-8(6-14-7)9(11)10(2,3)15(4,12)13/h5-6,9H,11H2,1-4H3
InChIKeyCRLDFSCTBWOHEK-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.88
Rot. Bonds3

About 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine

2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine (PubChem CID 104991379) has the molecular formula C10H17NO2S2 and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine
PubChem CID104991379
Molecular FormulaC10H17NO2S2
Molecular Weight247.38 g/mol
Exact Mass247.07
IUPAC Name2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine
SMILESCc1cc(C(N)C(C)(C)S(C)(=O)=O)cs1
InChIInChI=1S/C10H17NO2S2/c1-7-5-8(6-14-7)9(11)10(2,3)15(4,12)13/h5-6,9H,11H2,1-4H3
InChIKeyCRLDFSCTBWOHEK-UHFFFAOYSA-N
XLogP1.88
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-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 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine (CID 104991379) is 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine is Cc1cc(C(N)C(C)(C)S(C)(=O)=O)cs1.
What is the InChIKey of 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine?
The InChIKey is CRLDFSCTBWOHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S2/c1-7-5-8(6-14-7)9(11)10(2,3)15(4,12)13/h5-6,9H,11H2,1-4H3.
What are the key properties of 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine?
2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine is sourced from PubChem (CID 104991379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).