2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine

C7H13Cl2NS — CID 104861423

IUPAC2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine
SMILESCSC(C)CNCC(Cl)=CCl
InChIInChI=1S/C7H13Cl2NS/c1-6(11-2)4-10-5-7(9)3-8/h3,6,10H,4-5H2,1-2H3
InChIKeyWRICUMSKOFJBGU-UHFFFAOYSA-N
MW214.16 g/mol
LogP2.65
Rot. Bonds5

About 2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine

2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine (PubChem CID 104861423) has the molecular formula C7H13Cl2NS and a molecular weight of 214.16 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine
PubChem CID104861423
Molecular FormulaC7H13Cl2NS
Molecular Weight214.16 g/mol
Exact Mass213.01
IUPAC Name2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine
SMILESCSC(C)CNCC(Cl)=CCl
InChIInChI=1S/C7H13Cl2NS/c1-6(11-2)4-10-5-7(9)3-8/h3,6,10H,4-5H2,1-2H3
InChIKeyWRICUMSKOFJBGU-UHFFFAOYSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
CID 106429247
(Z)-3-(1-chloroethylsulfanyl)-N-ethylprop-2-en-1-amine
CID 146299872
2-chloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 60695410
2-chloro-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 63966036
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
(E)-4-chloro-N-(2-methylsulfanylethyl)but-2-en-1-amine
CID 81430699
N-[(E)-2,3-dichloroprop-2-enyl]thiolan-3-amine
CID 103062967
2-chloro-N-(2-ethylsulfanylethyl)prop-2-en-1-amine
CID 104668774
2,3-dichloro-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine
CID 104863140
N-(2,3-dichloroprop-2-enyl)-4-methylsulfanylbutan-2-amine
CID 104864152

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine (CID 104861423) is 2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine is CSC(C)CNCC(Cl)=CCl.
What is the InChIKey of 2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine?
The InChIKey is WRICUMSKOFJBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2NS/c1-6(11-2)4-10-5-7(9)3-8/h3,6,10H,4-5H2,1-2H3.
What are the key properties of 2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine?
2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine has a molecular weight of 214.16 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2-methylsulfanylpropyl)prop-2-en-1-amine is sourced from PubChem (CID 104861423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).