2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine

C5H10ClNOS — CID 58684303

IUPAC2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine
SMILESNCCS(=O)C/C=C/Cl
InChIInChI=1S/C5H10ClNOS/c6-2-1-4-9(8)5-3-7/h1-2H,3-5,7H2/b2-1+
InChIKeyATOVLMJKXMVVGA-OWOJBTEDSA-N
MW167.66 g/mol
LogP0.45
Rot. Bonds4

About 2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine

2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine (PubChem CID 58684303) has the molecular formula C5H10ClNOS and a molecular weight of 167.66 g/mol. Its IUPAC name is 2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine.

Molecular Properties

Compound Name2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine
PubChem CID58684303
Molecular FormulaC5H10ClNOS
Molecular Weight167.66 g/mol
Exact Mass167.02
IUPAC Name2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine
SMILESNCCS(=O)C/C=C/Cl
InChIInChI=1S/C5H10ClNOS/c6-2-1-4-9(8)5-3-7/h1-2H,3-5,7H2/b2-1+
InChIKeyATOVLMJKXMVVGA-OWOJBTEDSA-N
XLogP0.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.66
LogP ≤ 50.45
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
2-(3,3-Dichloroprop-2-enylsulfinyl)ethanamine
CID 58684273
3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684290
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 2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine?
The IUPAC name of 2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine (CID 58684303) is 2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine.
What is the SMILES notation for 2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine?
The canonical SMILES for 2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine is NCCS(=O)C/C=C/Cl.
What is the InChIKey of 2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine?
The InChIKey is ATOVLMJKXMVVGA-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H10ClNOS/c6-2-1-4-9(8)5-3-7/h1-2H,3-5,7H2/b2-1+.
What are the key properties of 2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine?
2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine has a molecular weight of 167.66 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine is sourced from PubChem (CID 58684303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).