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

C8H15NS — CID 134383468

IUPAC(Z)-2-ethenylsulfanyl-3,3-dimethylbut-1-en-1-amine
SMILESC=CS/C(=C\N)C(C)(C)C
InChIInChI=1S/C8H15NS/c1-5-10-7(6-9)8(2,3)4/h5-6H,1,9H2,2-4H3/b7-6-
InChIKeyDAQXXTUBPGQZES-SREVYHEPSA-N
MW157.28 g/mol
LogP2.71
Rot. Bonds2

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

(Z)-2-ethenylsulfanyl-3,3-dimethylbut-1-en-1-amine (PubChem CID 134383468) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (Z)-2-ethenylsulfanyl-3,3-dimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-ethenylsulfanyl-3,3-dimethylbut-1-en-1-amine
PubChem CID134383468
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(Z)-2-ethenylsulfanyl-3,3-dimethylbut-1-en-1-amine
SMILESC=CS/C(=C\N)C(C)(C)C
InChIInChI=1S/C8H15NS/c1-5-10-7(6-9)8(2,3)4/h5-6H,1,9H2,2-4H3/b7-6-
InChIKeyDAQXXTUBPGQZES-SREVYHEPSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethenylsulfanyl-3,3-dimethylbut-1-en-1-amine?
The IUPAC name of (Z)-2-ethenylsulfanyl-3,3-dimethylbut-1-en-1-amine (CID 134383468) is (Z)-2-ethenylsulfanyl-3,3-dimethylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-ethenylsulfanyl-3,3-dimethylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-ethenylsulfanyl-3,3-dimethylbut-1-en-1-amine is C=CS/C(=C\N)C(C)(C)C.
What is the InChIKey of (Z)-2-ethenylsulfanyl-3,3-dimethylbut-1-en-1-amine?
The InChIKey is DAQXXTUBPGQZES-SREVYHEPSA-N. The full InChI is InChI=1S/C8H15NS/c1-5-10-7(6-9)8(2,3)4/h5-6H,1,9H2,2-4H3/b7-6-.
What are the key properties of (Z)-2-ethenylsulfanyl-3,3-dimethylbut-1-en-1-amine?
(Z)-2-ethenylsulfanyl-3,3-dimethylbut-1-en-1-amine has a molecular weight of 157.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethenylsulfanyl-3,3-dimethylbut-1-en-1-amine is sourced from PubChem (CID 134383468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).