3-(2-chloroprop-2-enylsulfonyl)propan-1-amine

C6H12ClNO2S — CID 58684526

IUPAC3-(2-chloroprop-2-enylsulfonyl)propan-1-amine
SMILESC=C(Cl)CS(=O)(=O)CCCN
InChIInChI=1S/C6H12ClNO2S/c1-6(7)5-11(9,10)4-2-3-8/h1-5,8H2
InChIKeyYVJDAFVVOSZBDE-UHFFFAOYSA-N
MW197.69 g/mol
LogP0.50
Rot. Bonds5

About 3-(2-chloroprop-2-enylsulfonyl)propan-1-amine

3-(2-chloroprop-2-enylsulfonyl)propan-1-amine (PubChem CID 58684526) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is 3-(2-chloroprop-2-enylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloroprop-2-enylsulfonyl)propan-1-amine
PubChem CID58684526
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name3-(2-chloroprop-2-enylsulfonyl)propan-1-amine
SMILESC=C(Cl)CS(=O)(=O)CCCN
InChIInChI=1S/C6H12ClNO2S/c1-6(7)5-11(9,10)4-2-3-8/h1-5,8H2
InChIKeyYVJDAFVVOSZBDE-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroprop-2-enylsulfonyl)propan-1-amine?
The IUPAC name of 3-(2-chloroprop-2-enylsulfonyl)propan-1-amine (CID 58684526) is 3-(2-chloroprop-2-enylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloroprop-2-enylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(2-chloroprop-2-enylsulfonyl)propan-1-amine is C=C(Cl)CS(=O)(=O)CCCN.
What is the InChIKey of 3-(2-chloroprop-2-enylsulfonyl)propan-1-amine?
The InChIKey is YVJDAFVVOSZBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2S/c1-6(7)5-11(9,10)4-2-3-8/h1-5,8H2.
What are the key properties of 3-(2-chloroprop-2-enylsulfonyl)propan-1-amine?
3-(2-chloroprop-2-enylsulfonyl)propan-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-(2-chloroprop-2-enylsulfonyl)propan-1-amine is sourced from PubChem (CID 58684526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).