2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine

C10H23NO2S — CID 64628962

IUPAC2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
SMILESCC(CS(C)(=O)=O)NCC(C)C(C)C
InChIInChI=1S/C10H23NO2S/c1-8(2)9(3)6-11-10(4)7-14(5,12)13/h8-11H,6-7H2,1-5H3
InChIKeyGGGMOANOZUCPJQ-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.30
Rot. Bonds6

About 2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine

2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine (PubChem CID 64628962) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
PubChem CID64628962
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
SMILESCC(CS(C)(=O)=O)NCC(C)C(C)C
InChIInChI=1S/C10H23NO2S/c1-8(2)9(3)6-11-10(4)7-14(5,12)13/h8-11H,6-7H2,1-5H3
InChIKeyGGGMOANOZUCPJQ-UHFFFAOYSA-N
XLogP1.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-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 2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine (CID 64628962) is 2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine is CC(CS(C)(=O)=O)NCC(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine?
The InChIKey is GGGMOANOZUCPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-8(2)9(3)6-11-10(4)7-14(5,12)13/h8-11H,6-7H2,1-5H3.
What are the key properties of 2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine?
2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine is sourced from PubChem (CID 64628962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).