(Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine

C8H17NS — CID 138478352

IUPAC(Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine
SMILESCCS/C=C\C(C)N(C)C
InChIInChI=1S/C8H17NS/c1-5-10-7-6-8(2)9(3)4/h6-8H,5H2,1-4H3/b7-6-
InChIKeyITQMVIOKRCTIHH-SREVYHEPSA-N
MW159.30 g/mol
LogP2.20
Rot. Bonds4

About (Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine

(Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine (PubChem CID 138478352) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name(Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine
PubChem CID138478352
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine
SMILESCCS/C=C\C(C)N(C)C
InChIInChI=1S/C8H17NS/c1-5-10-7-6-8(2)9(3)4/h6-8H,5H2,1-4H3/b7-6-
InChIKeyITQMVIOKRCTIHH-SREVYHEPSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine?
The IUPAC name of (Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine (CID 138478352) is (Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine.
What is the SMILES notation for (Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine?
The canonical SMILES for (Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine is CCS/C=C\C(C)N(C)C.
What is the InChIKey of (Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine?
The InChIKey is ITQMVIOKRCTIHH-SREVYHEPSA-N. The full InChI is InChI=1S/C8H17NS/c1-5-10-7-6-8(2)9(3)4/h6-8H,5H2,1-4H3/b7-6-.
What are the key properties of (Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine?
(Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine has a molecular weight of 159.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine is sourced from PubChem (CID 138478352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).