3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine

C7H14ClNO2S — CID 58684384

IUPAC3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine
SMILESC/C(Cl)=C/CS(=O)(=O)CCCN
InChIInChI=1S/C7H14ClNO2S/c1-7(8)3-6-12(10,11)5-2-4-9/h3H,2,4-6,9H2,1H3/b7-3-
InChIKeyVUWVOOUTDQOLIP-CLTKARDFSA-N
MW211.71 g/mol
LogP0.89
Rot. Bonds5

About 3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine

3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine (PubChem CID 58684384) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine
PubChem CID58684384
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine
SMILESC/C(Cl)=C/CS(=O)(=O)CCCN
InChIInChI=1S/C7H14ClNO2S/c1-7(8)3-6-12(10,11)5-2-4-9/h3H,2,4-6,9H2,1H3/b7-3-
InChIKeyVUWVOOUTDQOLIP-CLTKARDFSA-N
XLogP0.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
4-(Ethanesulfonyl)but-2-en-1-amine hydrochloride
CID 177798537
4-Methanesulfonylbut-2-en-1-amine hydrochloride
CID 177798546
2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylethanamine
CID 58684018
3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine
CID 58684188
2-(3-Chloro-4,4,4-trifluorobut-2-enyl)sulfonylethanamine
CID 72390897
3-(3-Chloro-4,4,4-trifluorobut-2-enyl)sulfonylpropan-1-amine
CID 72390981
3-(3,3-Dichloroprop-2-enylsulfonyl)propan-1-amine
CID 58684063
3-[(E)-3-chloroprop-2-enyl]sulfonylpropan-1-amine
CID 58684110
3-[(E)-2-methylbut-2-enyl]sulfonylpropan-1-amine
CID 58684118
3-[(E)-but-2-enyl]sulfonylpropan-1-amine
CID 58684292
3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine
CID 58684343

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine?
The IUPAC name of 3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine (CID 58684384) is 3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine.
What is the SMILES notation for 3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine?
The canonical SMILES for 3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine is C/C(Cl)=C/CS(=O)(=O)CCCN.
What is the InChIKey of 3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine?
The InChIKey is VUWVOOUTDQOLIP-CLTKARDFSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c1-7(8)3-6-12(10,11)5-2-4-9/h3H,2,4-6,9H2,1H3/b7-3-.
What are the key properties of 3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine?
3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine has a molecular weight of 211.71 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine is sourced from PubChem (CID 58684384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).