(Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine

C8H17NS — CID 155329752

IUPAC(Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine
SMILESCN/C=C\SCC(C)(C)C
InChIInChI=1S/C8H17NS/c1-8(2,3)7-10-6-5-9-4/h5-6,9H,7H2,1-4H3/b6-5-
InChIKeyXQIGQQWOQFDGLF-WAYWQWQTSA-N
MW159.30 g/mol
LogP2.46
Rot. Bonds3

About (Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine

(Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine (PubChem CID 155329752) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine.

Molecular Properties

Compound Name(Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine
PubChem CID155329752
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine
SMILESCN/C=C\SCC(C)(C)C
InChIInChI=1S/C8H17NS/c1-8(2,3)7-10-6-5-9-4/h5-6,9H,7H2,1-4H3/b6-5-
InChIKeyXQIGQQWOQFDGLF-WAYWQWQTSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine?
The IUPAC name of (Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine (CID 155329752) is (Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine.
What is the SMILES notation for (Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine?
The canonical SMILES for (Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine is CN/C=C\SCC(C)(C)C.
What is the InChIKey of (Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine?
The InChIKey is XQIGQQWOQFDGLF-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(2,3)7-10-6-5-9-4/h5-6,9H,7H2,1-4H3/b6-5-.
What are the key properties of (Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine?
(Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine has a molecular weight of 159.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,2-dimethylpropylsulfanyl)-N-methylethenamine is sourced from PubChem (CID 155329752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).