(E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine

C10H21NS — CID 134923287

IUPAC(E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine
SMILESCC/C=C(/SCC)N(CC)CC
InChIInChI=1S/C10H21NS/c1-5-9-10(12-8-4)11(6-2)7-3/h9H,5-8H2,1-4H3/b10-9+
InChIKeyHDAJKVWMUNASOL-MDZDMXLPSA-N
MW187.35 g/mol
LogP3.33
Rot. Bonds6

About (E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine

(E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine (PubChem CID 134923287) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine
PubChem CID134923287
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine
SMILESCC/C=C(/SCC)N(CC)CC
InChIInChI=1S/C10H21NS/c1-5-9-10(12-8-4)11(6-2)7-3/h9H,5-8H2,1-4H3/b10-9+
InChIKeyHDAJKVWMUNASOL-MDZDMXLPSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-Diethylamino-1-propenyl-mercapto)ethyl hydrosulfide
CID 86107261
(E)-1-(diethylamino)but-1-ene-1-thiolate
CID 134893822
(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)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine
CID 134923273
(2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine
CID 59652079
6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine
CID 123995452
(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
(E)-N,N-diethyl-3-methylsulfanylbut-1-en-1-amine;ethane
CID 144019462

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine?
The IUPAC name of (E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine (CID 134923287) is (E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine.
What is the SMILES notation for (E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine?
The canonical SMILES for (E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine is CC/C=C(/SCC)N(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine?
The InChIKey is HDAJKVWMUNASOL-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-9-10(12-8-4)11(6-2)7-3/h9H,5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine?
(E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine has a molecular weight of 187.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine is sourced from PubChem (CID 134923287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).