N,2-dimethyl-1-methylsulfonylbutan-2-amine

C7H17NO2S — CID 88935795

IUPACN,2-dimethyl-1-methylsulfonylbutan-2-amine
SMILESCCC(C)(CS(C)(=O)=O)NC
InChIInChI=1S/C7H17NO2S/c1-5-7(2,8-3)6-11(4,9)10/h8H,5-6H2,1-4H3
InChIKeyBSEUNNFLFHTZPR-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.42
Rot. Bonds4

About N,2-dimethyl-1-methylsulfonylbutan-2-amine

N,2-dimethyl-1-methylsulfonylbutan-2-amine (PubChem CID 88935795) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N,2-dimethyl-1-methylsulfonylbutan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-methylsulfonylbutan-2-amine
PubChem CID88935795
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN,2-dimethyl-1-methylsulfonylbutan-2-amine
SMILESCCC(C)(CS(C)(=O)=O)NC
InChIInChI=1S/C7H17NO2S/c1-5-7(2,8-3)6-11(4,9)10/h8H,5-6H2,1-4H3
InChIKeyBSEUNNFLFHTZPR-UHFFFAOYSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,2-dimethyl-1-methylsulfonylbutan-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,2-dimethyl-1-methylsulfonylbutan-2-amine?
The IUPAC name of N,2-dimethyl-1-methylsulfonylbutan-2-amine (CID 88935795) is N,2-dimethyl-1-methylsulfonylbutan-2-amine.
What is the SMILES notation for N,2-dimethyl-1-methylsulfonylbutan-2-amine?
The canonical SMILES for N,2-dimethyl-1-methylsulfonylbutan-2-amine is CCC(C)(CS(C)(=O)=O)NC.
What is the InChIKey of N,2-dimethyl-1-methylsulfonylbutan-2-amine?
The InChIKey is BSEUNNFLFHTZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-5-7(2,8-3)6-11(4,9)10/h8H,5-6H2,1-4H3.
What are the key properties of N,2-dimethyl-1-methylsulfonylbutan-2-amine?
N,2-dimethyl-1-methylsulfonylbutan-2-amine has a molecular weight of 179.28 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-methylsulfonylbutan-2-amine is sourced from PubChem (CID 88935795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).