4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine

C11H25NO2S — CID 103830241

IUPAC4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine
SMILESCCCS(=O)(=O)CCNC(C)CC(C)C
InChIInChI=1S/C11H25NO2S/c1-5-7-15(13,14)8-6-12-11(4)9-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyXXYVJNXIHKQVHB-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds8

About 4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine

4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine (PubChem CID 103830241) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine
PubChem CID103830241
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine
SMILESCCCS(=O)(=O)CCNC(C)CC(C)C
InChIInChI=1S/C11H25NO2S/c1-5-7-15(13,14)8-6-12-11(4)9-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyXXYVJNXIHKQVHB-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-(2-propylsulfonylethyl)pentan-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

1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723818
3-(2-propylsulfonylethylamino)butan-1-ol
CID 106724270
4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
CID 60920037
3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine
CID 104578137
N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine
CID 63926903
3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol
CID 106723970
1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723805
6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine
CID 106732355
1-propylsulfonylpropane
CID 11709
N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine
CID 106729640
(1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
CID 106724080
4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 21355637

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine?
The IUPAC name of 4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine (CID 103830241) is 4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine?
The canonical SMILES for 4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine is CCCS(=O)(=O)CCNC(C)CC(C)C.
What is the InChIKey of 4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine?
The InChIKey is XXYVJNXIHKQVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-7-15(13,14)8-6-12-11(4)9-10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine?
4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine is sourced from PubChem (CID 103830241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).