(Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine

C8H15NS — CID 126626583

IUPAC(Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine
SMILESC=CS/C(=C\NC)C(C)C
InChIInChI=1S/C8H15NS/c1-5-10-8(6-9-4)7(2)3/h5-7,9H,1H2,2-4H3/b8-6-
InChIKeyGUDUFPOYAQXHLK-VURMDHGXSA-N
MW157.28 g/mol
LogP2.58
Rot. Bonds4

About (Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine

(Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine (PubChem CID 126626583) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine
PubChem CID126626583
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine
SMILESC=CS/C(=C\NC)C(C)C
InChIInChI=1S/C8H15NS/c1-5-10-8(6-9-4)7(2)3/h5-7,9H,1H2,2-4H3/b8-6-
InChIKeyGUDUFPOYAQXHLK-VURMDHGXSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine?
The IUPAC name of (Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine (CID 126626583) is (Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine is C=CS/C(=C\NC)C(C)C.
What is the InChIKey of (Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine?
The InChIKey is GUDUFPOYAQXHLK-VURMDHGXSA-N. The full InChI is InChI=1S/C8H15NS/c1-5-10-8(6-9-4)7(2)3/h5-7,9H,1H2,2-4H3/b8-6-.
What are the key properties of (Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine?
(Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine has a molecular weight of 157.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine is sourced from PubChem (CID 126626583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).