1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine

C9H21NO2S — CID 107760473

IUPAC1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine
SMILESCOCC(N)CS(=O)CCC(C)C
InChIInChI=1S/C9H21NO2S/c1-8(2)4-5-13(11)7-9(10)6-12-3/h8-9H,4-7,10H2,1-3H3
InChIKeyPEIWERKYDIIZOE-UHFFFAOYSA-N
MW207.34 g/mol
LogP0.75
Rot. Bonds7

About 1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine

1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine (PubChem CID 107760473) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine
PubChem CID107760473
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine
SMILESCOCC(N)CS(=O)CCC(C)C
InChIInChI=1S/C9H21NO2S/c1-8(2)4-5-13(11)7-9(10)6-12-3/h8-9H,4-7,10H2,1-3H3
InChIKeyPEIWERKYDIIZOE-UHFFFAOYSA-N
XLogP0.75
TPSA52.32 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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-3-(3-methylbutylsulfinyl)propan-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-butylsulfinyl-3-methoxypropan-2-amine
CID 107508808
1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine
CID 81189513
1-butan-2-ylsulfinyl-3-methoxypropan-2-amine
CID 107508747
1-methoxy-6-methylheptan-2-amine
CID 62320003
1-(4-methoxybutylsulfinyl)butan-2-amine
CID 104651021
1-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfinyl)ethanamine
CID 107760430
1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine
CID 103416100
4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine
CID 81195475
(3R)-3-amino-4-methoxybutan-1-ol
CID 95241115
1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine
CID 107760481
3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine
CID 81101510
(2S)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine
CID 177282025

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine?
The IUPAC name of 1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine (CID 107760473) is 1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine.
What is the SMILES notation for 1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine?
The canonical SMILES for 1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine is COCC(N)CS(=O)CCC(C)C.
What is the InChIKey of 1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine?
The InChIKey is PEIWERKYDIIZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-8(2)4-5-13(11)7-9(10)6-12-3/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine?
1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine is sourced from PubChem (CID 107760473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).