1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine

C12H23NS2 — CID 10824289

IUPAC1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine
SMILESCS/C(=C\SC(C)(C)C)CN1CCCC1
InChIInChI=1S/C12H23NS2/c1-12(2,3)15-10-11(14-4)9-13-7-5-6-8-13/h10H,5-9H2,1-4H3/b11-10-
InChIKeyVPJHUMQUMHXJHS-KHPPLWFESA-N
MW245.46 g/mol
LogP3.82
Rot. Bonds4

About 1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine

1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine (PubChem CID 10824289) has the molecular formula C12H23NS2 and a molecular weight of 245.46 g/mol. Its IUPAC name is 1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine
PubChem CID10824289
Molecular FormulaC12H23NS2
Molecular Weight245.46 g/mol
Exact Mass245.13
IUPAC Name1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine
SMILESCS/C(=C\SC(C)(C)C)CN1CCCC1
InChIInChI=1S/C12H23NS2/c1-12(2,3)15-10-11(14-4)9-13-7-5-6-8-13/h10H,5-9H2,1-4H3/b11-10-
InChIKeyVPJHUMQUMHXJHS-KHPPLWFESA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.46
LogP ≤ 53.82
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
3-(2-Methylprop-2-enyl)-1,3-thiazolidine
CID 141025828
3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine
CID 144748198
1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine
CID 156519991
1-[3,3-Bis(ethylsulfanyl)prop-2-enyl]pyrrolidine
CID 11075262
2-[[Methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073535
3-(Methylsulfanylmethyl)-1-prop-2-enylpyrrolidine
CID 131224489
(E)-2-methyl-3-prop-1-en-2-ylsulfanyl-N,N-dipropylprop-2-en-1-amine
CID 143845022

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine?
The IUPAC name of 1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine (CID 10824289) is 1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine.
What is the SMILES notation for 1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine?
The canonical SMILES for 1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine is CS/C(=C\SC(C)(C)C)CN1CCCC1.
What is the InChIKey of 1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine?
The InChIKey is VPJHUMQUMHXJHS-KHPPLWFESA-N. The full InChI is InChI=1S/C12H23NS2/c1-12(2,3)15-10-11(14-4)9-13-7-5-6-8-13/h10H,5-9H2,1-4H3/b11-10-.
What are the key properties of 1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine?
1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine has a molecular weight of 245.46 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine is sourced from PubChem (CID 10824289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).