N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-amine

C8H15Cl2NS — CID 104864424

IUPACN-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CNCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2NS/c1-8(2,12-3)6-11-5-7(10)4-9/h4,11H,5-6H2,1-3H3
InChIKeyQFYUGVYROISHQN-UHFFFAOYSA-N
MW228.19 g/mol
LogP3.04
Rot. Bonds5

About N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-amine

N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-amine (PubChem CID 104864424) has the molecular formula C8H15Cl2NS and a molecular weight of 228.19 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-amine
PubChem CID104864424
Molecular FormulaC8H15Cl2NS
Molecular Weight228.19 g/mol
Exact Mass227.03
IUPAC NameN-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CNCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2NS/c1-8(2,12-3)6-11-5-7(10)4-9/h4,11H,5-6H2,1-3H3
InChIKeyQFYUGVYROISHQN-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-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

2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 79168224
2,3-dichloro-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 79168225
N-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 79168325
N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552456
2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine
CID 104861423
N-(2,3-dichloroprop-2-enyl)-4-methylsulfanylbutan-2-amine
CID 104864152
N-(2,3-dichloroprop-2-enyl)-4-methylsulfanylbutan-1-amine
CID 104866017
N-(2,3-dichloroprop-2-enyl)-3-methylsulfanylbutan-1-amine
CID 104866986
N-(2,3-dichloroprop-2-enyl)-1-methylsulfanylbutan-2-amine
CID 104867078
2,3-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]prop-2-en-1-amine
CID 105817499
N-(2,3-dichloroprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine
CID 105818328
2,3-dichloro-N-[(1-methylsulfanylcyclobutyl)methyl]prop-2-en-1-amine
CID 105819165

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-amine (CID 104864424) is N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-amine is CSC(C)(C)CNCC(Cl)=CCl.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-amine?
The InChIKey is QFYUGVYROISHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2NS/c1-8(2,12-3)6-11-5-7(10)4-9/h4,11H,5-6H2,1-3H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-amine?
N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-amine has a molecular weight of 228.19 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 104864424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).