(Z)-3-methyl-2-methylsulfanylbut-1-en-1-amine

C6H13NS — CID 129213869

IUPAC(Z)-3-methyl-2-methylsulfanylbut-1-en-1-amine
SMILESCS/C(=C\N)C(C)C
InChIInChI=1S/C6H13NS/c1-5(2)6(4-7)8-3/h4-5H,7H2,1-3H3/b6-4-
InChIKeyUURSUNWBEZGQDO-XQRVVYSFSA-N
MW131.24 g/mol
LogP1.81
Rot. Bonds2

About (Z)-3-methyl-2-methylsulfanylbut-1-en-1-amine

(Z)-3-methyl-2-methylsulfanylbut-1-en-1-amine (PubChem CID 129213869) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (Z)-3-methyl-2-methylsulfanylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methyl-2-methylsulfanylbut-1-en-1-amine
PubChem CID129213869
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(Z)-3-methyl-2-methylsulfanylbut-1-en-1-amine
SMILESCS/C(=C\N)C(C)C
InChIInChI=1S/C6H13NS/c1-5(2)6(4-7)8-3/h4-5H,7H2,1-3H3/b6-4-
InChIKeyUURSUNWBEZGQDO-XQRVVYSFSA-N
XLogP1.81
TPSA26.02 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-N-fluoro-2-(methylsulfanylmethyl)but-1-en-1-amine
CID 139419070
(E)-2-methyl-4-methylsulfanylbut-1-en-1-amine
CID 88936278
(Z)-2-methylsulfanylbut-1-en-1-amine
CID 89207008
(Z)-2-methyl-3-methylsulfanylprop-1-en-1-amine
CID 117713142
(Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine
CID 126514149
(Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine
CID 126626583
(Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine
CID 129207404
(Z)-2-methylsulfanylprop-1-en-1-amine
CID 129287514
(Z)-N,3-dimethyl-2-methylsulfanylbut-1-en-1-amine
CID 132011706
(Z)-2-(3-methylbut-1-en-2-ylsulfanyl)ethenamine
CID 141771101
(2-Methyl-3-methylsulfanylprop-1-enyl)azanium
CID 142046547
(Z)-1-amino-3-methylbut-1-ene-2-thiol
CID 144711047

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-2-methylsulfanylbut-1-en-1-amine?
The IUPAC name of (Z)-3-methyl-2-methylsulfanylbut-1-en-1-amine (CID 129213869) is (Z)-3-methyl-2-methylsulfanylbut-1-en-1-amine.
What is the SMILES notation for (Z)-3-methyl-2-methylsulfanylbut-1-en-1-amine?
The canonical SMILES for (Z)-3-methyl-2-methylsulfanylbut-1-en-1-amine is CS/C(=C\N)C(C)C.
What is the InChIKey of (Z)-3-methyl-2-methylsulfanylbut-1-en-1-amine?
The InChIKey is UURSUNWBEZGQDO-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H13NS/c1-5(2)6(4-7)8-3/h4-5H,7H2,1-3H3/b6-4-.
What are the key properties of (Z)-3-methyl-2-methylsulfanylbut-1-en-1-amine?
(Z)-3-methyl-2-methylsulfanylbut-1-en-1-amine has a molecular weight of 131.24 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-methylsulfanylbut-1-en-1-amine is sourced from PubChem (CID 129213869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).