3-(oxan-3-ylsulfinyl)propan-1-amine

C8H17NO2S — CID 107138204

IUPAC3-(oxan-3-ylsulfinyl)propan-1-amine
SMILESNCCCS(=O)C1CCCOC1
InChIInChI=1S/C8H17NO2S/c9-4-2-6-12(10)8-3-1-5-11-7-8/h8H,1-7,9H2
InChIKeyNIGLRJRMLINVRB-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.26
Rot. Bonds4

About 3-(oxan-3-ylsulfinyl)propan-1-amine

3-(oxan-3-ylsulfinyl)propan-1-amine (PubChem CID 107138204) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-(oxan-3-ylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name3-(oxan-3-ylsulfinyl)propan-1-amine
PubChem CID107138204
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-(oxan-3-ylsulfinyl)propan-1-amine
SMILESNCCCS(=O)C1CCCOC1
InChIInChI=1S/C8H17NO2S/c9-4-2-6-12(10)8-3-1-5-11-7-8/h8H,1-7,9H2
InChIKeyNIGLRJRMLINVRB-UHFFFAOYSA-N
XLogP0.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(oxan-3-ylsulfinyl)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

2-cyclopentylsulfinylethanamine
CID 58684642
3-cyclohex-3-en-1-ylsulfinylpropan-1-amine
CID 58684850
3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine
CID 58684813
(2R)-2-acetamido-3-(oxan-3-ylsulfinyl)propanoic acid
CID 107775574
2-methyl-2-(oxan-3-ylsulfinyl)propanoic acid
CID 107137195
3-butylsulfinyloxan-4-amine
CID 64653727
3-bromo-4-(oxan-3-ylsulfinyl)aniline
CID 107138230
N-(3-aminopropyl)-N-cyclohexyloxane-3-carboxamide
CID 55149190
N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63725582
2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone
CID 104756311
N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide
CID 102873929
oxan-3-amine
CID 5200320

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-ylsulfinyl)propan-1-amine?
The IUPAC name of 3-(oxan-3-ylsulfinyl)propan-1-amine (CID 107138204) is 3-(oxan-3-ylsulfinyl)propan-1-amine.
What is the SMILES notation for 3-(oxan-3-ylsulfinyl)propan-1-amine?
The canonical SMILES for 3-(oxan-3-ylsulfinyl)propan-1-amine is NCCCS(=O)C1CCCOC1.
What is the InChIKey of 3-(oxan-3-ylsulfinyl)propan-1-amine?
The InChIKey is NIGLRJRMLINVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c9-4-2-6-12(10)8-3-1-5-11-7-8/h8H,1-7,9H2.
What are the key properties of 3-(oxan-3-ylsulfinyl)propan-1-amine?
3-(oxan-3-ylsulfinyl)propan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-ylsulfinyl)propan-1-amine is sourced from PubChem (CID 107138204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).