3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine

C9H21NO2S — CID 116501505

IUPAC3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine
SMILESCOCC(C)CNC(C)CS(C)=O
InChIInChI=1S/C9H21NO2S/c1-8(6-12-3)5-10-9(2)7-13(4)11/h8-10H,5-7H2,1-4H3
InChIKeyREXABJJCDGXZBZ-UHFFFAOYSA-N
MW207.34 g/mol
LogP0.63
Rot. Bonds7

About 3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine

3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine (PubChem CID 116501505) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine
PubChem CID116501505
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine
SMILESCOCC(C)CNC(C)CS(C)=O
InChIInChI=1S/C9H21NO2S/c1-8(6-12-3)5-10-9(2)7-13(4)11/h8-10H,5-7H2,1-4H3
InChIKeyREXABJJCDGXZBZ-UHFFFAOYSA-N
XLogP0.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-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

Related Compounds

methyl 2-bromo-3-(1-methylsulfinylpropan-2-ylamino)propanoate
CID 103264088
(2R)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]-2-phenylpropan-1-amine
CID 124616994
(2S)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]-2-phenylpropan-1-amine
CID 124616995
3-methoxy-2-methylpropane-1-sulfinyl chloride
CID 165459514
(2R)-3-methoxy-2-methylpropan-1-amine;(2R)-3-methoxy-2-methyl-N-propan-2-ylpropan-1-amine
CID 161351660
3-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 116500887
1-methylsulfinyl-N-propan-2-ylpropan-2-amine
CID 104537797
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine
CID 115712747
1-ethyl-3-(3-methoxy-2-methylpropyl)urea
CID 115593972
methyl N-(3-methoxy-2-methylpropyl)carbamate
CID 115593989
3-methoxy-2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)propan-1-amine
CID 79540301
(2R)-1-(1-methoxypropan-2-ylamino)propan-2-ol
CID 103906714

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine?
The IUPAC name of 3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine (CID 116501505) is 3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine is COCC(C)CNC(C)CS(C)=O.
What is the InChIKey of 3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine?
The InChIKey is REXABJJCDGXZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-8(6-12-3)5-10-9(2)7-13(4)11/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine?
3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine is sourced from PubChem (CID 116501505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).