2-(2-chloroprop-2-enylsulfinyl)ethanamine

C5H10ClNOS — CID 58684460

IUPAC2-(2-chloroprop-2-enylsulfinyl)ethanamine
SMILESC=C(Cl)CS(=O)CCN
InChIInChI=1S/C5H10ClNOS/c1-5(6)4-9(8)3-2-7/h1-4,7H2
InChIKeyCQPCMYJDFAGNDW-UHFFFAOYSA-N
MW167.66 g/mol
LogP0.45
Rot. Bonds4

About 2-(2-chloroprop-2-enylsulfinyl)ethanamine

2-(2-chloroprop-2-enylsulfinyl)ethanamine (PubChem CID 58684460) has the molecular formula C5H10ClNOS and a molecular weight of 167.66 g/mol. Its IUPAC name is 2-(2-chloroprop-2-enylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloroprop-2-enylsulfinyl)ethanamine
PubChem CID58684460
Molecular FormulaC5H10ClNOS
Molecular Weight167.66 g/mol
Exact Mass167.02
IUPAC Name2-(2-chloroprop-2-enylsulfinyl)ethanamine
SMILESC=C(Cl)CS(=O)CCN
InChIInChI=1S/C5H10ClNOS/c1-5(6)4-9(8)3-2-7/h1-4,7H2
InChIKeyCQPCMYJDFAGNDW-UHFFFAOYSA-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-(2-Fluoroprop-2-enylsulfinyl)ethanamine
CID 58684422
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-(2-Chloroprop-2-enylsulfanyl)propan-1-amine
CID 58684444
3-[(Z)-3-chloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684483
3-(2-Chloroprop-2-enylsulfonyl)propan-1-amine
CID 58684526
2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine
CID 58684540
3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684562
2-[(Z)-3-chloroprop-2-enyl]sulfinylethanamine
CID 58684622

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroprop-2-enylsulfinyl)ethanamine?
The IUPAC name of 2-(2-chloroprop-2-enylsulfinyl)ethanamine (CID 58684460) is 2-(2-chloroprop-2-enylsulfinyl)ethanamine.
What is the SMILES notation for 2-(2-chloroprop-2-enylsulfinyl)ethanamine?
The canonical SMILES for 2-(2-chloroprop-2-enylsulfinyl)ethanamine is C=C(Cl)CS(=O)CCN.
What is the InChIKey of 2-(2-chloroprop-2-enylsulfinyl)ethanamine?
The InChIKey is CQPCMYJDFAGNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNOS/c1-5(6)4-9(8)3-2-7/h1-4,7H2.
What are the key properties of 2-(2-chloroprop-2-enylsulfinyl)ethanamine?
2-(2-chloroprop-2-enylsulfinyl)ethanamine 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-(2-chloroprop-2-enylsulfinyl)ethanamine is sourced from PubChem (CID 58684460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).