(Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine

C6H13NS — CID 139501226

IUPAC(Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine
SMILESCN/C(C)=C(/C)SC
InChIInChI=1S/C6H13NS/c1-5(7-3)6(2)8-4/h7H,1-4H3/b6-5-
InChIKeyOHKLRTYCVSEFET-WAYWQWQTSA-N
MW131.24 g/mol
LogP1.82
Rot. Bonds2

About (Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine

(Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine (PubChem CID 139501226) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine
PubChem CID139501226
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine
SMILESCN/C(C)=C(/C)SC
InChIInChI=1S/C6H13NS/c1-5(7-3)6(2)8-4/h7H,1-4H3/b6-5-
InChIKeyOHKLRTYCVSEFET-WAYWQWQTSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine?
The IUPAC name of (Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine (CID 139501226) is (Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine.
What is the SMILES notation for (Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine?
The canonical SMILES for (Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine is CN/C(C)=C(/C)SC.
What is the InChIKey of (Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine?
The InChIKey is OHKLRTYCVSEFET-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H13NS/c1-5(7-3)6(2)8-4/h7H,1-4H3/b6-5-.
What are the key properties of (Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine?
(Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine has a molecular weight of 131.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine is sourced from PubChem (CID 139501226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).