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

C9H21NO2S — CID 60920037

IUPAC4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
SMILESCC(C)CC(C)NCCS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-8(2)7-9(3)10-5-6-13(4,11)12/h8-10H,5-7H2,1-4H3
InChIKeyZHFKVDPONSINIO-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.06
Rot. Bonds6

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

4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine (PubChem CID 60920037) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
PubChem CID60920037
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
SMILESCC(C)CC(C)NCCS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-8(2)7-9(3)10-5-6-13(4,11)12/h8-10H,5-7H2,1-4H3
InChIKeyZHFKVDPONSINIO-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-(2-methylsulfonylethyl)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

(2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine
CID 104867919
4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine
CID 103830241
N-(2-methylsulfonylethyl)propan-2-amine
CID 60708370
ethane;N-(2-methylsulfonylethyl)propan-2-amine
CID 142531419
N-(2-methylsulfonylethyl)nonan-2-amine
CID 60920601
3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine
CID 60714061
4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 21355637
N-(2-methylsulfonylethyl)pentan-3-amine
CID 60711918
5-methyl-N-(2-methylsulfonylethyl)heptan-3-amine
CID 60920928
2-chloro-4-methyl-N-(2-methylsulfonylethyl)pentan-1-amine
CID 107155996
4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol
CID 107152409
4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine
CID 79551975

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine?
The IUPAC name of 4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine (CID 60920037) is 4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine?
The canonical SMILES for 4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine is CC(C)CC(C)NCCS(C)(=O)=O.
What is the InChIKey of 4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine?
The InChIKey is ZHFKVDPONSINIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-8(2)7-9(3)10-5-6-13(4,11)12/h8-10H,5-7H2,1-4H3.
What are the key properties of 4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine?
4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine is sourced from PubChem (CID 60920037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).