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

C6H12ClNO2S — CID 58684824

IUPAC2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine
SMILESC/C(Cl)=C/CS(=O)(=O)CCN
InChIInChI=1S/C6H12ClNO2S/c1-6(7)2-4-11(9,10)5-3-8/h2H,3-5,8H2,1H3/b6-2-
InChIKeyVPPNTOCCPKMTOA-KXFIGUGUSA-N
MW197.69 g/mol
LogP0.50
Rot. Bonds4

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

2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine (PubChem CID 58684824) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is 2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine.

Molecular Properties

Compound Name2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine
PubChem CID58684824
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine
SMILESC/C(Cl)=C/CS(=O)(=O)CCN
InChIInChI=1S/C6H12ClNO2S/c1-6(7)2-4-11(9,10)5-3-8/h2H,3-5,8H2,1H3/b6-2-
InChIKeyVPPNTOCCPKMTOA-KXFIGUGUSA-N
XLogP0.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine?
The IUPAC name of 2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine (CID 58684824) is 2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine.
What is the SMILES notation for 2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine?
The canonical SMILES for 2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine is C/C(Cl)=C/CS(=O)(=O)CCN.
What is the InChIKey of 2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine?
The InChIKey is VPPNTOCCPKMTOA-KXFIGUGUSA-N. The full InChI is InChI=1S/C6H12ClNO2S/c1-6(7)2-4-11(9,10)5-3-8/h2H,3-5,8H2,1H3/b6-2-.
What are the key properties of 2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine?
2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine has a molecular weight of 197.69 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine is sourced from PubChem (CID 58684824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).