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

C5H11NS — CID 89207008

IUPAC(Z)-2-methylsulfanylbut-1-en-1-amine
SMILESCC/C(=C/N)SC
InChIInChI=1S/C5H11NS/c1-3-5(4-6)7-2/h4H,3,6H2,1-2H3/b5-4-
InChIKeyUZRLXQSLUOBUSC-PLNGDYQASA-N
MW117.22 g/mol
LogP1.56
Rot. Bonds2

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

(Z)-2-methylsulfanylbut-1-en-1-amine (PubChem CID 89207008) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is (Z)-2-methylsulfanylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methylsulfanylbut-1-en-1-amine
PubChem CID89207008
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name(Z)-2-methylsulfanylbut-1-en-1-amine
SMILESCC/C(=C/N)SC
InChIInChI=1S/C5H11NS/c1-3-5(4-6)7-2/h4H,3,6H2,1-2H3/b5-4-
InChIKeyUZRLXQSLUOBUSC-PLNGDYQASA-N
XLogP1.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylsulfanylbut-1-en-1-amine?
The IUPAC name of (Z)-2-methylsulfanylbut-1-en-1-amine (CID 89207008) is (Z)-2-methylsulfanylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-methylsulfanylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-methylsulfanylbut-1-en-1-amine is CC/C(=C/N)SC.
What is the InChIKey of (Z)-2-methylsulfanylbut-1-en-1-amine?
The InChIKey is UZRLXQSLUOBUSC-PLNGDYQASA-N. The full InChI is InChI=1S/C5H11NS/c1-3-5(4-6)7-2/h4H,3,6H2,1-2H3/b5-4-.
What are the key properties of (Z)-2-methylsulfanylbut-1-en-1-amine?
(Z)-2-methylsulfanylbut-1-en-1-amine has a molecular weight of 117.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylsulfanylbut-1-en-1-amine is sourced from PubChem (CID 89207008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).