2-nonylsulfinylpropan-1-amine

C12H27NOS — CID 81187131

IUPAC2-nonylsulfinylpropan-1-amine
SMILESCCCCCCCCCS(=O)C(C)CN
InChIInChI=1S/C12H27NOS/c1-3-4-5-6-7-8-9-10-15(14)12(2)11-13/h12H,3-11,13H2,1-2H3
InChIKeyLEDRCCMISOFSGS-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.83
Rot. Bonds10

About 2-nonylsulfinylpropan-1-amine

2-nonylsulfinylpropan-1-amine (PubChem CID 81187131) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is 2-nonylsulfinylpropan-1-amine.

Molecular Properties

Compound Name2-nonylsulfinylpropan-1-amine
PubChem CID81187131
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name2-nonylsulfinylpropan-1-amine
SMILESCCCCCCCCCS(=O)C(C)CN
InChIInChI=1S/C12H27NOS/c1-3-4-5-6-7-8-9-10-15(14)12(2)11-13/h12H,3-11,13H2,1-2H3
InChIKeyLEDRCCMISOFSGS-UHFFFAOYSA-N
XLogP2.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-nonylsulfinylpropan-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

2-heptylsulfinylpropan-1-amine
CID 81186656
2-pentylsulfinylpropan-1-amine
CID 81186667
1-[(S)-propan-2-ylsulfinyl]decane
CID 10955441
2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine
CID 81186331
3-octylsulfinylbutanoic acid
CID 66114161
3-butan-2-ylsulfinylpropan-1-amine
CID 58684272
N-ethyl-4-pentylsulfinylpentan-2-amine
CID 107758976
3-methyl-2-nonylsulfinylbutanoic acid
CID 105355808
3-tridecylsulfinyldecan-2-ol
CID 173314811
1-heptadecylsulfinylheptadecane
CID 54059826
2-pentylsulfinylnonanamide
CID 87719790
6-butan-2-ylsulfinylhexan-3-amine
CID 106807943

Frequently Asked Questions

What is the IUPAC name of 2-nonylsulfinylpropan-1-amine?
The IUPAC name of 2-nonylsulfinylpropan-1-amine (CID 81187131) is 2-nonylsulfinylpropan-1-amine.
What is the SMILES notation for 2-nonylsulfinylpropan-1-amine?
The canonical SMILES for 2-nonylsulfinylpropan-1-amine is CCCCCCCCCS(=O)C(C)CN.
What is the InChIKey of 2-nonylsulfinylpropan-1-amine?
The InChIKey is LEDRCCMISOFSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-3-4-5-6-7-8-9-10-15(14)12(2)11-13/h12H,3-11,13H2,1-2H3.
What are the key properties of 2-nonylsulfinylpropan-1-amine?
2-nonylsulfinylpropan-1-amine has a molecular weight of 233.42 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylsulfinylpropan-1-amine is sourced from PubChem (CID 81187131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).