(E)-3-ethenylsulfanyl-2-methylprop-2-en-1-amine

C6H11NS — CID 130178861

IUPAC(E)-3-ethenylsulfanyl-2-methylprop-2-en-1-amine
SMILESC=CS/C=C(\C)CN
InChIInChI=1S/C6H11NS/c1-3-8-5-6(2)4-7/h3,5H,1,4,7H2,2H3/b6-5+
InChIKeyJKJVVQSGCOLULN-AATRIKPKSA-N
MW129.23 g/mol
LogP1.73
Rot. Bonds3

About (E)-3-ethenylsulfanyl-2-methylprop-2-en-1-amine

(E)-3-ethenylsulfanyl-2-methylprop-2-en-1-amine (PubChem CID 130178861) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (E)-3-ethenylsulfanyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-ethenylsulfanyl-2-methylprop-2-en-1-amine
PubChem CID130178861
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(E)-3-ethenylsulfanyl-2-methylprop-2-en-1-amine
SMILESC=CS/C=C(\C)CN
InChIInChI=1S/C6H11NS/c1-3-8-5-6(2)4-7/h3,5H,1,4,7H2,2H3/b6-5+
InChIKeyJKJVVQSGCOLULN-AATRIKPKSA-N
XLogP1.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethenylsulfanyl-2-methylprop-2-en-1-amine?
The IUPAC name of (E)-3-ethenylsulfanyl-2-methylprop-2-en-1-amine (CID 130178861) is (E)-3-ethenylsulfanyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-ethenylsulfanyl-2-methylprop-2-en-1-amine?
The canonical SMILES for (E)-3-ethenylsulfanyl-2-methylprop-2-en-1-amine is C=CS/C=C(\C)CN.
What is the InChIKey of (E)-3-ethenylsulfanyl-2-methylprop-2-en-1-amine?
The InChIKey is JKJVVQSGCOLULN-AATRIKPKSA-N. The full InChI is InChI=1S/C6H11NS/c1-3-8-5-6(2)4-7/h3,5H,1,4,7H2,2H3/b6-5+.
What are the key properties of (E)-3-ethenylsulfanyl-2-methylprop-2-en-1-amine?
(E)-3-ethenylsulfanyl-2-methylprop-2-en-1-amine has a molecular weight of 129.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethenylsulfanyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 130178861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).