2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine

C6H12ClNOS — CID 58684910

IUPAC2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine
SMILESC/C(Cl)=C/CS(=O)CCN
InChIInChI=1S/C6H12ClNOS/c1-6(7)2-4-10(9)5-3-8/h2H,3-5,8H2,1H3/b6-2-
InChIKeyLANNLEVHILVBDD-KXFIGUGUSA-N
MW181.69 g/mol
LogP0.84
Rot. Bonds4

About 2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine

2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine (PubChem CID 58684910) has the molecular formula C6H12ClNOS and a molecular weight of 181.69 g/mol. Its IUPAC name is 2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine.

Molecular Properties

Compound Name2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine
PubChem CID58684910
Molecular FormulaC6H12ClNOS
Molecular Weight181.69 g/mol
Exact Mass181.03
IUPAC Name2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine
SMILESC/C(Cl)=C/CS(=O)CCN
InChIInChI=1S/C6H12ClNOS/c1-6(7)2-4-10(9)5-3-8/h2H,3-5,8H2,1H3/b6-2-
InChIKeyLANNLEVHILVBDD-KXFIGUGUSA-N
XLogP0.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine
CID 58684409
2-(3,3-Dichloroprop-2-enylsulfinyl)ethanamine
CID 58684273
2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine
CID 58684303
2-[(E)-but-2-enyl]sulfinylethanamine
CID 58684340
3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine
CID 58684343
3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine
CID 58684384
3-[(E)-but-2-enyl]sulfinylpropan-1-amine
CID 58684397
2-(2-Chloroprop-2-enylsulfinyl)ethanamine
CID 58684460
3-[(Z)-3-chloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684483
3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684562
2-[(Z)-3-chlorobut-2-enyl]sulfanylethanamine
CID 58684578
2-[(Z)-3-chloroprop-2-enyl]sulfinylethanamine
CID 58684622

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine?
The IUPAC name of 2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine (CID 58684910) is 2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine.
What is the SMILES notation for 2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine?
The canonical SMILES for 2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine is C/C(Cl)=C/CS(=O)CCN.
What is the InChIKey of 2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine?
The InChIKey is LANNLEVHILVBDD-KXFIGUGUSA-N. The full InChI is InChI=1S/C6H12ClNOS/c1-6(7)2-4-10(9)5-3-8/h2H,3-5,8H2,1H3/b6-2-.
What are the key properties of 2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine?
2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine has a molecular weight of 181.69 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine is sourced from PubChem (CID 58684910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).