3-prop-2-enylsulfinylpropan-1-amine

C6H13NOS — CID 58684512

IUPAC3-prop-2-enylsulfinylpropan-1-amine
SMILESC=CCS(=O)CCCN
InChIInChI=1S/C6H13NOS/c1-2-5-9(8)6-3-4-7/h2H,1,3-7H2
InChIKeyAFWWSNJZTDUONY-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.27
Rot. Bonds5

About 3-prop-2-enylsulfinylpropan-1-amine

3-prop-2-enylsulfinylpropan-1-amine (PubChem CID 58684512) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-prop-2-enylsulfinylpropan-1-amine.

Molecular Properties

Compound Name3-prop-2-enylsulfinylpropan-1-amine
PubChem CID58684512
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name3-prop-2-enylsulfinylpropan-1-amine
SMILESC=CCS(=O)CCCN
InChIInChI=1S/C6H13NOS/c1-2-5-9(8)6-3-4-7/h2H,1,3-7H2
InChIKeyAFWWSNJZTDUONY-UHFFFAOYSA-N
XLogP0.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine
CID 20495465
3-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
2-(2-Fluoroprop-2-enylsulfinyl)ethanamine
CID 58684422
3-(2-Fluoroprop-2-enylsulfinyl)propan-1-amine
CID 58684458
3-Prop-2-enylsulfanylpropan-1-amine
CID 20339959
2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine
CID 58684163
3-[(E)-but-2-enyl]sulfonylpropan-1-amine
CID 58684292
4-Prop-2-enylsulfinylbutan-2-amine
CID 58684301
2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine
CID 58684303
3-Cyclobut-2-en-1-ylsulfinylpropan-1-amine
CID 58684311
2-[(E)-but-2-enyl]sulfinylethanamine
CID 58684340
3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine
CID 58684343

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylsulfinylpropan-1-amine?
The IUPAC name of 3-prop-2-enylsulfinylpropan-1-amine (CID 58684512) is 3-prop-2-enylsulfinylpropan-1-amine.
What is the SMILES notation for 3-prop-2-enylsulfinylpropan-1-amine?
The canonical SMILES for 3-prop-2-enylsulfinylpropan-1-amine is C=CCS(=O)CCCN.
What is the InChIKey of 3-prop-2-enylsulfinylpropan-1-amine?
The InChIKey is AFWWSNJZTDUONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-5-9(8)6-3-4-7/h2H,1,3-7H2.
What are the key properties of 3-prop-2-enylsulfinylpropan-1-amine?
3-prop-2-enylsulfinylpropan-1-amine has a molecular weight of 147.24 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfinylpropan-1-amine is sourced from PubChem (CID 58684512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).