3-(2-chloroprop-2-enylsulfinyl)propan-1-amine

C6H12ClNOS — CID 58684886

IUPAC3-(2-chloroprop-2-enylsulfinyl)propan-1-amine
SMILESC=C(Cl)CS(=O)CCCN
InChIInChI=1S/C6H12ClNOS/c1-6(7)5-10(9)4-2-3-8/h1-5,8H2
InChIKeyYIZGUEARVPIVNK-UHFFFAOYSA-N
MW181.69 g/mol
LogP0.84
Rot. Bonds5

About 3-(2-chloroprop-2-enylsulfinyl)propan-1-amine

3-(2-chloroprop-2-enylsulfinyl)propan-1-amine (PubChem CID 58684886) has the molecular formula C6H12ClNOS and a molecular weight of 181.69 g/mol. Its IUPAC name is 3-(2-chloroprop-2-enylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloroprop-2-enylsulfinyl)propan-1-amine
PubChem CID58684886
Molecular FormulaC6H12ClNOS
Molecular Weight181.69 g/mol
Exact Mass181.03
IUPAC Name3-(2-chloroprop-2-enylsulfinyl)propan-1-amine
SMILESC=C(Cl)CS(=O)CCCN
InChIInChI=1S/C6H12ClNOS/c1-6(7)5-10(9)4-2-3-8/h1-5,8H2
InChIKeyYIZGUEARVPIVNK-UHFFFAOYSA-N
XLogP0.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.69
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Fluoroprop-2-enylsulfinyl)propan-1-amine
CID 58684458
2-(2-Chloroprop-2-enylsulfanyl)ethanamine
CID 24702605
2-(3,3-Dichloroprop-2-enylsulfinyl)ethanamine
CID 58684273
3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684290
2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine
CID 58684303
3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine
CID 58684343
3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine
CID 58684384
3-(2-Chloroprop-2-enylsulfanyl)propan-1-amine
CID 58684444
2-(2-Chloroprop-2-enylsulfinyl)ethanamine
CID 58684460
3-[(Z)-3-chloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684483
3-(2-Methylprop-2-enylsulfinyl)propan-1-amine
CID 58684491
3-Prop-2-enylsulfinylpropan-1-amine
CID 58684512

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroprop-2-enylsulfinyl)propan-1-amine?
The IUPAC name of 3-(2-chloroprop-2-enylsulfinyl)propan-1-amine (CID 58684886) is 3-(2-chloroprop-2-enylsulfinyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloroprop-2-enylsulfinyl)propan-1-amine?
The canonical SMILES for 3-(2-chloroprop-2-enylsulfinyl)propan-1-amine is C=C(Cl)CS(=O)CCCN.
What is the InChIKey of 3-(2-chloroprop-2-enylsulfinyl)propan-1-amine?
The InChIKey is YIZGUEARVPIVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNOS/c1-6(7)5-10(9)4-2-3-8/h1-5,8H2.
What are the key properties of 3-(2-chloroprop-2-enylsulfinyl)propan-1-amine?
3-(2-chloroprop-2-enylsulfinyl)propan-1-amine has a molecular weight of 181.69 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroprop-2-enylsulfinyl)propan-1-amine is sourced from PubChem (CID 58684886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).