(Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine

C7H13NS — CID 126514149

IUPAC(Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine
SMILESC=CS/C(=C\N)C(C)C
InChIInChI=1S/C7H13NS/c1-4-9-7(5-8)6(2)3/h4-6H,1,8H2,2-3H3/b7-5-
InChIKeyMNVLPSSZJFZFOP-ALCCZGGFSA-N
MW143.25 g/mol
LogP2.32
Rot. Bonds3

About (Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine

(Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine (PubChem CID 126514149) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine
PubChem CID126514149
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine
SMILESC=CS/C(=C\N)C(C)C
InChIInChI=1S/C7H13NS/c1-4-9-7(5-8)6(2)3/h4-6H,1,8H2,2-3H3/b7-5-
InChIKeyMNVLPSSZJFZFOP-ALCCZGGFSA-N
XLogP2.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine?
The IUPAC name of (Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine (CID 126514149) is (Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine is C=CS/C(=C\N)C(C)C.
What is the InChIKey of (Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine?
The InChIKey is MNVLPSSZJFZFOP-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H13NS/c1-4-9-7(5-8)6(2)3/h4-6H,1,8H2,2-3H3/b7-5-.
What are the key properties of (Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine?
(Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine has a molecular weight of 143.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethenylsulfanyl-3-methylbut-1-en-1-amine is sourced from PubChem (CID 126514149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).