N,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine

C11H23NS2 — CID 10911463

IUPACN,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine
SMILESCCSC(=CCN(CC)CC)SCC
InChIInChI=1S/C11H23NS2/c1-5-12(6-2)10-9-11(13-7-3)14-8-4/h9H,5-8,10H2,1-4H3
InChIKeyZBCVBDSZZYKRBB-UHFFFAOYSA-N
MW233.45 g/mol
LogP3.68
Rot. Bonds8

About N,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine

N,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine (PubChem CID 10911463) has the molecular formula C11H23NS2 and a molecular weight of 233.45 g/mol. Its IUPAC name is N,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine
PubChem CID10911463
Molecular FormulaC11H23NS2
Molecular Weight233.45 g/mol
Exact Mass233.13
IUPAC NameN,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine
SMILESCCSC(=CCN(CC)CC)SCC
InChIInChI=1S/C11H23NS2/c1-5-12(6-2)10-9-11(13-7-3)14-8-4/h9H,5-8,10H2,1-4H3
InChIKeyZBCVBDSZZYKRBB-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine
CID 11172780
2-[1-[(Z)-but-2-en-2-yl]sulfanylethenylsulfanyl]-N,N-dimethylethanamine
CID 143016956
(E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine
CID 144748130
(E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine
CID 167047707
(E)-3-[ethyl(dimethyl)-lambda4-sulfanyl]-N,N-dimethylprop-2-en-1-amine
CID 174286816
Dimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane
CID 174857155
N-[3,3-bis(ethylsulfanyl)prop-2-enyl]-N-butylbutan-1-amine
CID 10880776
3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine
CID 10965650
3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine
CID 11032546
1-[3,3-Bis(ethylsulfanyl)prop-2-enyl]pyrrolidine
CID 11075262
N,N-diethyl-3-methylsulfanylprop-2-en-1-amine
CID 57350098
(E)-4-[methyl(2-methylsulfanylethyl)amino]but-2-ene-1-thiol
CID 112667510

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine?
The IUPAC name of N,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine (CID 10911463) is N,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine.
What is the SMILES notation for N,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine?
The canonical SMILES for N,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine is CCSC(=CCN(CC)CC)SCC.
What is the InChIKey of N,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine?
The InChIKey is ZBCVBDSZZYKRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS2/c1-5-12(6-2)10-9-11(13-7-3)14-8-4/h9H,5-8,10H2,1-4H3.
What are the key properties of N,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine?
N,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine has a molecular weight of 233.45 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine is sourced from PubChem (CID 10911463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).