1-[3,3-bis(ethylsulfanyl)prop-2-enyl]pyrrolidine

C11H21NS2 — CID 11075262

IUPAC1-[3,3-bis(ethylsulfanyl)prop-2-enyl]pyrrolidine
SMILESCCSC(=CCN1CCCC1)SCC
InChIInChI=1S/C11H21NS2/c1-3-13-11(14-4-2)7-10-12-8-5-6-9-12/h7H,3-6,8-10H2,1-2H3
InChIKeyAMDSOFXVKAVWCC-UHFFFAOYSA-N
MW231.43 g/mol
LogP3.43
Rot. Bonds6

About 1-[3,3-bis(ethylsulfanyl)prop-2-enyl]pyrrolidine

1-[3,3-bis(ethylsulfanyl)prop-2-enyl]pyrrolidine (PubChem CID 11075262) has the molecular formula C11H21NS2 and a molecular weight of 231.43 g/mol. Its IUPAC name is 1-[3,3-bis(ethylsulfanyl)prop-2-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[3,3-bis(ethylsulfanyl)prop-2-enyl]pyrrolidine
PubChem CID11075262
Molecular FormulaC11H21NS2
Molecular Weight231.43 g/mol
Exact Mass231.11
IUPAC Name1-[3,3-bis(ethylsulfanyl)prop-2-enyl]pyrrolidine
SMILESCCSC(=CCN1CCCC1)SCC
InChIInChI=1S/C11H21NS2/c1-3-13-11(14-4-2)7-10-12-8-5-6-9-12/h7H,3-6,8-10H2,1-2H3
InChIKeyAMDSOFXVKAVWCC-UHFFFAOYSA-N
XLogP3.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methylsulfanylbut-2-enyl)pyrrolidine
CID 67174067
1-[(Z)-3-methylsulfanylbut-2-enyl]pyrrolidine
CID 67417898
1-(2-Methylsulfanylbut-2-enyl)pyrrolidine
CID 67815103
1-[(Z)-2-methylsulfanylbut-2-enyl]pyrrolidine
CID 88439571
1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine
CID 156519991
1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine
CID 10824289
N-[3,3-bis(ethylsulfanyl)prop-2-enyl]-N-butylbutan-1-amine
CID 10880776
N,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine
CID 10911463

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-bis(ethylsulfanyl)prop-2-enyl]pyrrolidine?
The IUPAC name of 1-[3,3-bis(ethylsulfanyl)prop-2-enyl]pyrrolidine (CID 11075262) is 1-[3,3-bis(ethylsulfanyl)prop-2-enyl]pyrrolidine.
What is the SMILES notation for 1-[3,3-bis(ethylsulfanyl)prop-2-enyl]pyrrolidine?
The canonical SMILES for 1-[3,3-bis(ethylsulfanyl)prop-2-enyl]pyrrolidine is CCSC(=CCN1CCCC1)SCC.
What is the InChIKey of 1-[3,3-bis(ethylsulfanyl)prop-2-enyl]pyrrolidine?
The InChIKey is AMDSOFXVKAVWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS2/c1-3-13-11(14-4-2)7-10-12-8-5-6-9-12/h7H,3-6,8-10H2,1-2H3.
What are the key properties of 1-[3,3-bis(ethylsulfanyl)prop-2-enyl]pyrrolidine?
1-[3,3-bis(ethylsulfanyl)prop-2-enyl]pyrrolidine has a molecular weight of 231.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-bis(ethylsulfanyl)prop-2-enyl]pyrrolidine is sourced from PubChem (CID 11075262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).