3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine

C6H12ClNOS — CID 58684562

IUPAC3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine
SMILESNCCCS(=O)C/C=C/Cl
InChIInChI=1S/C6H12ClNOS/c7-3-1-5-10(9)6-2-4-8/h1,3H,2,4-6,8H2/b3-1+
InChIKeyGFGDBCCUBFEGGQ-HNQUOIGGSA-N
MW181.69 g/mol
LogP0.84
Rot. Bonds5

About 3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine

3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine (PubChem CID 58684562) has the molecular formula C6H12ClNOS and a molecular weight of 181.69 g/mol. Its IUPAC name is 3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine.

Molecular Properties

Compound Name3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine
PubChem CID58684562
Molecular FormulaC6H12ClNOS
Molecular Weight181.69 g/mol
Exact Mass181.03
IUPAC Name3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine
SMILESNCCCS(=O)C/C=C/Cl
InChIInChI=1S/C6H12ClNOS/c7-3-1-5-10(9)6-2-4-8/h1,3H,2,4-6,8H2/b3-1+
InChIKeyGFGDBCCUBFEGGQ-HNQUOIGGSA-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

2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine
CID 24704936
3-[(Z)-3-chloroprop-2-enyl]sulfanylpropan-1-amine
CID 58684080
3-[(E)-3-chloroprop-2-enyl]sulfonylpropan-1-amine
CID 58684110
2-[(Z)-3-chloroprop-2-enyl]sulfanylethanamine
CID 58684116
3-[(E)-3-chloroprop-2-enyl]sulfanylpropan-1-amine
CID 58684227
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
2-(2-Chloroprop-2-enylsulfinyl)ethanamine
CID 58684460
3-[(Z)-3-chloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684483
2-(4-Chlorocyclobut-2-en-1-yl)sulfinylethanamine
CID 58684502
3-Prop-2-enylsulfinylpropan-1-amine
CID 58684512

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine?
The IUPAC name of 3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine (CID 58684562) is 3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine.
What is the SMILES notation for 3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine?
The canonical SMILES for 3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine is NCCCS(=O)C/C=C/Cl.
What is the InChIKey of 3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine?
The InChIKey is GFGDBCCUBFEGGQ-HNQUOIGGSA-N. The full InChI is InChI=1S/C6H12ClNOS/c7-3-1-5-10(9)6-2-4-8/h1,3H,2,4-6,8H2/b3-1+.
What are the key properties of 3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine?
3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-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-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine is sourced from PubChem (CID 58684562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).