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

C6H11Cl2NS — CID 79173660

IUPAC1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine
SMILESCC(N)CSCC(Cl)=CCl
InChIInChI=1S/C6H11Cl2NS/c1-5(9)3-10-4-6(8)2-7/h2,5H,3-4,9H2,1H3
InChIKeyPOQJKMNKLRFCAN-UHFFFAOYSA-N
MW200.13 g/mol
LogP2.39
Rot. Bonds4

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

1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine (PubChem CID 79173660) has the molecular formula C6H11Cl2NS and a molecular weight of 200.13 g/mol. Its IUPAC name is 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine
PubChem CID79173660
Molecular FormulaC6H11Cl2NS
Molecular Weight200.13 g/mol
Exact Mass199.00
IUPAC Name1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine
SMILESCC(N)CSCC(Cl)=CCl
InChIInChI=1S/C6H11Cl2NS/c1-5(9)3-10-4-6(8)2-7/h2,5H,3-4,9H2,1H3
InChIKeyPOQJKMNKLRFCAN-UHFFFAOYSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-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

2-(2-aminopropylsulfanyl)acetic acid
CID 66217411
2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid
CID 79168464
2-amino-4-(2,3-dichloroprop-2-enylsulfanyl)butanoic acid
CID 79173052
3-(2,3-dichloroprop-2-enylsulfanyl)butan-1-amine
CID 79173763
2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide
CID 66217234
3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol
CID 104889279
2,3-dichloro-N-(1-ethylsulfanylpropan-2-yl)prop-2-en-1-amine
CID 104869062
2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide
CID 66219969
2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66218210
4-(2-aminopropylsulfanyl)butan-1-ol
CID 66217716
1-(2-methylbutylsulfanyl)propan-2-amine
CID 66217492
(2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine
CID 104971612

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine (CID 79173660) is 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine is CC(N)CSCC(Cl)=CCl.
What is the InChIKey of 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine?
The InChIKey is POQJKMNKLRFCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2NS/c1-5(9)3-10-4-6(8)2-7/h2,5H,3-4,9H2,1H3.
What are the key properties of 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine?
1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine has a molecular weight of 200.13 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine is sourced from PubChem (CID 79173660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).