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

C13H23NS2 — CID 11032546

IUPAC3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine
SMILESC=CCN(CC=C)CC=C(SCC)SCC
InChIInChI=1S/C13H23NS2/c1-5-10-14(11-6-2)12-9-13(15-7-3)16-8-4/h5-6,9H,1-2,7-8,10-12H2,3-4H3
InChIKeyJPUCTRYOWCPMSX-UHFFFAOYSA-N
MW257.47 g/mol
LogP4.01
Rot. Bonds10

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

3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine (PubChem CID 11032546) has the molecular formula C13H23NS2 and a molecular weight of 257.47 g/mol. Its IUPAC name is 3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine
PubChem CID11032546
Molecular FormulaC13H23NS2
Molecular Weight257.47 g/mol
Exact Mass257.13
IUPAC Name3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine
SMILESC=CCN(CC=C)CC=C(SCC)SCC
InChIInChI=1S/C13H23NS2/c1-5-10-14(11-6-2)12-9-13(15-7-3)16-8-4/h5-6,9H,1-2,7-8,10-12H2,3-4H3
InChIKeyJPUCTRYOWCPMSX-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine
CID 11172780
allyl-N,N-dipropyldithiocarbamate
CID 13021142
propan-2-ylsulfanyl N,N-bis(prop-2-enyl)carbamodithioate
CID 19838568
propyl N,N-bis(prop-2-enyl)carbamodithioate
CID 22495240
N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine
CID 54074839
sodium propyl N,N-bis(prop-2-enyl)carbamodithioate
CID 87989522
N-prop-2-enyl-N-(prop-2-enylsulfanylmethyl)prop-2-en-1-amine
CID 88120680
butylsulfanyl(prop-2-enylsulfanyl)methanethione;ethyl N,N-diethylcarbamodithioate
CID 88694026
N,N-bis(prop-2-enyl)-1,3-dithiolan-2-amine
CID 88711558
4-methylsulfanyl-N,N-bis(prop-2-enyl)butan-2-amine
CID 126500500
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

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine?
The IUPAC name of 3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine (CID 11032546) is 3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine.
What is the SMILES notation for 3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine?
The canonical SMILES for 3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine is C=CCN(CC=C)CC=C(SCC)SCC.
What is the InChIKey of 3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine?
The InChIKey is JPUCTRYOWCPMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS2/c1-5-10-14(11-6-2)12-9-13(15-7-3)16-8-4/h5-6,9H,1-2,7-8,10-12H2,3-4H3.
What are the key properties of 3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine?
3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine has a molecular weight of 257.47 g/mol, XLogP of 4.01, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine is sourced from PubChem (CID 11032546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).