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

C6H12ClNO2S — CID 58685012

IUPAC3-[(Z)-3-chloroprop-2-enyl]sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)C/C=C\Cl
InChIInChI=1S/C6H12ClNO2S/c7-3-1-5-11(9,10)6-2-4-8/h1,3H,2,4-6,8H2/b3-1-
InChIKeyGPHOOTRADUXLJV-IWQZZHSRSA-N
MW197.69 g/mol
LogP0.50
Rot. Bonds5

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

3-[(Z)-3-chloroprop-2-enyl]sulfonylpropan-1-amine (PubChem CID 58685012) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is 3-[(Z)-3-chloroprop-2-enyl]sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-[(Z)-3-chloroprop-2-enyl]sulfonylpropan-1-amine
PubChem CID58685012
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name3-[(Z)-3-chloroprop-2-enyl]sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)C/C=C\Cl
InChIInChI=1S/C6H12ClNO2S/c7-3-1-5-11(9,10)6-2-4-8/h1,3H,2,4-6,8H2/b3-1-
InChIKeyGPHOOTRADUXLJV-IWQZZHSRSA-N
XLogP0.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

3-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
3-(2-Chloroethylsulfonyl)propan-1-amine
CID 11052335
3-(3,3-Dichloroprop-2-enylsulfonyl)propan-1-amine
CID 58684063
3-[(E)-3-chloroprop-2-enyl]sulfonylpropan-1-amine
CID 58684110
2-(4-Chlorocyclobut-2-en-1-yl)sulfonylethanamine
CID 58684185
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]sulfonylpropan-1-amine
CID 58684384
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
2-[(E)-3-chloroprop-2-enyl]sulfonylethanamine
CID 58684550

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-chloroprop-2-enyl]sulfonylpropan-1-amine?
The IUPAC name of 3-[(Z)-3-chloroprop-2-enyl]sulfonylpropan-1-amine (CID 58685012) is 3-[(Z)-3-chloroprop-2-enyl]sulfonylpropan-1-amine.
What is the SMILES notation for 3-[(Z)-3-chloroprop-2-enyl]sulfonylpropan-1-amine?
The canonical SMILES for 3-[(Z)-3-chloroprop-2-enyl]sulfonylpropan-1-amine is NCCCS(=O)(=O)C/C=C\Cl.
What is the InChIKey of 3-[(Z)-3-chloroprop-2-enyl]sulfonylpropan-1-amine?
The InChIKey is GPHOOTRADUXLJV-IWQZZHSRSA-N. The full InChI is InChI=1S/C6H12ClNO2S/c7-3-1-5-11(9,10)6-2-4-8/h1,3H,2,4-6,8H2/b3-1-.
What are the key properties of 3-[(Z)-3-chloroprop-2-enyl]sulfonylpropan-1-amine?
3-[(Z)-3-chloroprop-2-enyl]sulfonylpropan-1-amine has a molecular weight of 197.69 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-chloroprop-2-enyl]sulfonylpropan-1-amine is sourced from PubChem (CID 58685012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).