N-(2-chloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine

C8H16ClNS — CID 63964949

IUPACN-(2-chloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESC=C(Cl)CNCC(C)CSC
InChIInChI=1S/C8H16ClNS/c1-7(6-11-3)4-10-5-8(2)9/h7,10H,2,4-6H2,1,3H3
InChIKeyDNDAFQPHWUAOCR-UHFFFAOYSA-N
MW193.74 g/mol
LogP2.33
Rot. Bonds6

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

N-(2-chloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 63964949) has the molecular formula C8H16ClNS and a molecular weight of 193.74 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID63964949
Molecular FormulaC8H16ClNS
Molecular Weight193.74 g/mol
Exact Mass193.07
IUPAC NameN-(2-chloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESC=C(Cl)CNCC(C)CSC
InChIInChI=1S/C8H16ClNS/c1-7(6-11-3)4-10-5-8(2)9/h7,10H,2,4-6H2,1,3H3
InChIKeyDNDAFQPHWUAOCR-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.74
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine (CID 63964949) is N-(2-chloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine is C=C(Cl)CNCC(C)CSC.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is DNDAFQPHWUAOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNS/c1-7(6-11-3)4-10-5-8(2)9/h7,10H,2,4-6H2,1,3H3.
What are the key properties of N-(2-chloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine?
N-(2-chloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 193.74 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63964949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).