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

C6H11Cl2NOS — CID 58685125

IUPAC3-(3,3-dichloroprop-2-enylsulfinyl)propan-1-amine
SMILESNCCCS(=O)CC=C(Cl)Cl
InChIInChI=1S/C6H11Cl2NOS/c7-6(8)2-5-11(10)4-1-3-9/h2H,1,3-5,9H2
InChIKeyIULACGWSCDJRRZ-UHFFFAOYSA-N
MW216.13 g/mol
LogP1.40
Rot. Bonds5

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

3-(3,3-dichloroprop-2-enylsulfinyl)propan-1-amine (PubChem CID 58685125) has the molecular formula C6H11Cl2NOS and a molecular weight of 216.13 g/mol. Its IUPAC name is 3-(3,3-dichloroprop-2-enylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,3-dichloroprop-2-enylsulfinyl)propan-1-amine
PubChem CID58685125
Molecular FormulaC6H11Cl2NOS
Molecular Weight216.13 g/mol
Exact Mass214.99
IUPAC Name3-(3,3-dichloroprop-2-enylsulfinyl)propan-1-amine
SMILESNCCCS(=O)CC=C(Cl)Cl
InChIInChI=1S/C6H11Cl2NOS/c7-6(8)2-5-11(10)4-1-3-9/h2H,1,3-5,9H2
InChIKeyIULACGWSCDJRRZ-UHFFFAOYSA-N
XLogP1.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-Dichloroprop-2-enylsulfonyl)propan-1-amine
CID 58684063
2-(3,3-Dichloroprop-2-enylsulfinyl)ethanamine
CID 58684273
3-(3,3-Dichloroprop-2-enylsulfanyl)propan-1-amine
CID 58684274
3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684290
3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine
CID 58684343
2-(2-Chloroprop-2-enylsulfinyl)ethanamine
CID 58684460
3-[(Z)-3-chloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684483
3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684562
2-(3,3-Dichloroprop-2-enylsulfonyl)ethanamine
CID 58684729
2-(3,3-Dichloroprop-2-enylsulfanyl)ethanamine
CID 58684760
3-(2-Chloroprop-2-enylsulfinyl)propan-1-amine
CID 58684886
2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine
CID 58684910

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dichloroprop-2-enylsulfinyl)propan-1-amine?
The IUPAC name of 3-(3,3-dichloroprop-2-enylsulfinyl)propan-1-amine (CID 58685125) is 3-(3,3-dichloroprop-2-enylsulfinyl)propan-1-amine.
What is the SMILES notation for 3-(3,3-dichloroprop-2-enylsulfinyl)propan-1-amine?
The canonical SMILES for 3-(3,3-dichloroprop-2-enylsulfinyl)propan-1-amine is NCCCS(=O)CC=C(Cl)Cl.
What is the InChIKey of 3-(3,3-dichloroprop-2-enylsulfinyl)propan-1-amine?
The InChIKey is IULACGWSCDJRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2NOS/c7-6(8)2-5-11(10)4-1-3-9/h2H,1,3-5,9H2.
What are the key properties of 3-(3,3-dichloroprop-2-enylsulfinyl)propan-1-amine?
3-(3,3-dichloroprop-2-enylsulfinyl)propan-1-amine has a molecular weight of 216.13 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dichloroprop-2-enylsulfinyl)propan-1-amine is sourced from PubChem (CID 58685125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).