(E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine

C8H17NS — CID 134923273

IUPAC(E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine
SMILESCC/C=C(/SCC)N(C)C
InChIInChI=1S/C8H17NS/c1-5-7-8(9(3)4)10-6-2/h7H,5-6H2,1-4H3/b8-7+
InChIKeyRUJYGQFWICHQGN-BQYQJAHWSA-N
MW159.30 g/mol
LogP2.55
Rot. Bonds4

About (E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine

(E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine (PubChem CID 134923273) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine
PubChem CID134923273
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine
SMILESCC/C=C(/SCC)N(C)C
InChIInChI=1S/C8H17NS/c1-5-7-8(9(3)4)10-6-2/h7H,5-6H2,1-4H3/b8-7+
InChIKeyRUJYGQFWICHQGN-BQYQJAHWSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine
CID 134923052
(E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine
CID 134923118
(E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine
CID 134923136
(E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine
CID 134923287
1-butylsulfanyl-N,N-dimethylethenamine
CID 44720585
(2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine
CID 59652079
(Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine
CID 88683674
2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine
CID 123459159
(Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine
CID 139538978
N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine
CID 142050819
N-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine
CID 142050904
(2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine;methane
CID 161888544

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine?
The IUPAC name of (E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine (CID 134923273) is (E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine.
What is the SMILES notation for (E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine?
The canonical SMILES for (E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine is CC/C=C(/SCC)N(C)C.
What is the InChIKey of (E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine?
The InChIKey is RUJYGQFWICHQGN-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H17NS/c1-5-7-8(9(3)4)10-6-2/h7H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine?
(E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine has a molecular weight of 159.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine is sourced from PubChem (CID 134923273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).