5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine

C11H25NO2S — CID 81333066

IUPAC5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine
SMILESCOCCCS(=O)CCCC(C)(C)CN
InChIInChI=1S/C11H25NO2S/c1-11(2,10-12)6-4-8-15(13)9-5-7-14-3/h4-10,12H2,1-3H3
InChIKeyXZQICPBELAFEHX-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.54
Rot. Bonds9

About 5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine

5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine (PubChem CID 81333066) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine
PubChem CID81333066
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine
SMILESCOCCCS(=O)CCCC(C)(C)CN
InChIInChI=1S/C11H25NO2S/c1-11(2,10-12)6-4-8-15(13)9-5-7-14-3/h4-10,12H2,1-3H3
InChIKeyXZQICPBELAFEHX-UHFFFAOYSA-N
XLogP1.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-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

1-(2-Methoxyethylsulfinyl)-3,3-dimethylbutan-2-amine
CID 64652303
1-(3-Methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine
CID 64659984
5-Ethylsulfonyl-2,2-dimethylpentan-1-amine
CID 65097335
5-(2-Methoxyethylsulfanyl)-2,2-dimethylpentan-1-amine
CID 65255445
5-(3-Methoxypropylsulfanyl)-2,2-dimethylpentan-1-amine
CID 65255556
4-(2-Methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine
CID 65256447
4-(3-Methoxypropylsulfonyl)-2,2-dimethylbutan-1-amine
CID 65256723
2,2-Dimethyl-5-(oxan-4-ylsulfonyl)pentan-1-amine
CID 65262694
5-Tert-butylsulfonyl-2,2-dimethylpentan-1-amine
CID 65262941
5-Butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine
CID 65263093
2,2-Dimethyl-5-propylsulfonylpentan-1-amine
CID 65263142
5-(2-Methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine
CID 65263193

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine (CID 81333066) is 5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine is COCCCS(=O)CCCC(C)(C)CN.
What is the InChIKey of 5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine?
The InChIKey is XZQICPBELAFEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-11(2,10-12)6-4-8-15(13)9-5-7-14-3/h4-10,12H2,1-3H3.
What are the key properties of 5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine?
5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 81333066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).