3-(3,3-dichloroprop-2-enylsulfonyl)propan-1-amine

C6H11Cl2NO2S — CID 58684063

IUPAC3-(3,3-dichloroprop-2-enylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CC=C(Cl)Cl
InChIInChI=1S/C6H11Cl2NO2S/c7-6(8)2-5-12(10,11)4-1-3-9/h2H,1,3-5,9H2
InChIKeyYJGUQUZJYJZARM-UHFFFAOYSA-N
MW232.13 g/mol
LogP1.07
Rot. Bonds5

About 3-(3,3-dichloroprop-2-enylsulfonyl)propan-1-amine

3-(3,3-dichloroprop-2-enylsulfonyl)propan-1-amine (PubChem CID 58684063) has the molecular formula C6H11Cl2NO2S and a molecular weight of 232.13 g/mol. Its IUPAC name is 3-(3,3-dichloroprop-2-enylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,3-dichloroprop-2-enylsulfonyl)propan-1-amine
PubChem CID58684063
Molecular FormulaC6H11Cl2NO2S
Molecular Weight232.13 g/mol
Exact Mass230.99
IUPAC Name3-(3,3-dichloroprop-2-enylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CC=C(Cl)Cl
InChIInChI=1S/C6H11Cl2NO2S/c7-6(8)2-5-12(10,11)4-1-3-9/h2H,1,3-5,9H2
InChIKeyYJGUQUZJYJZARM-UHFFFAOYSA-N
XLogP1.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.13
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine
CID 58684188
3-(3-Chloro-4,4,4-trifluorobut-2-enyl)sulfonylpropan-1-amine
CID 72390981
3-[(E)-3-chloroprop-2-enyl]sulfonylpropan-1-amine
CID 58684110
2-(3,3-Dichloroprop-2-enylsulfinyl)ethanamine
CID 58684273
3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine
CID 58684384
3-(2-Chloroprop-2-enylsulfonyl)propan-1-amine
CID 58684526
2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine
CID 58684540
2-(3,3-Dichloroprop-2-enylsulfonyl)ethanamine
CID 58684729
2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine
CID 58684824
3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine
CID 58684901
2-(2-Chloroprop-2-enylsulfonyl)ethanamine
CID 58684952
3-[(Z)-3-chloroprop-2-enyl]sulfonylpropan-1-amine
CID 58685012

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dichloroprop-2-enylsulfonyl)propan-1-amine?
The IUPAC name of 3-(3,3-dichloroprop-2-enylsulfonyl)propan-1-amine (CID 58684063) is 3-(3,3-dichloroprop-2-enylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(3,3-dichloroprop-2-enylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(3,3-dichloroprop-2-enylsulfonyl)propan-1-amine is NCCCS(=O)(=O)CC=C(Cl)Cl.
What is the InChIKey of 3-(3,3-dichloroprop-2-enylsulfonyl)propan-1-amine?
The InChIKey is YJGUQUZJYJZARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2NO2S/c7-6(8)2-5-12(10,11)4-1-3-9/h2H,1,3-5,9H2.
What are the key properties of 3-(3,3-dichloroprop-2-enylsulfonyl)propan-1-amine?
3-(3,3-dichloroprop-2-enylsulfonyl)propan-1-amine has a molecular weight of 232.13 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dichloroprop-2-enylsulfonyl)propan-1-amine is sourced from PubChem (CID 58684063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).