1-(2-methylsulfanylethyl)-2,3-dihydropyrrole

C7H13NS — CID 142185321

IUPAC1-(2-methylsulfanylethyl)-2,3-dihydropyrrole
SMILESCSCCN1C=CCC1
InChIInChI=1S/C7H13NS/c1-9-7-6-8-4-2-3-5-8/h2,4H,3,5-7H2,1H3
InChIKeyULBAYFMDIJQCNA-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.57
Rot. Bonds3

About 1-(2-methylsulfanylethyl)-2,3-dihydropyrrole

1-(2-methylsulfanylethyl)-2,3-dihydropyrrole (PubChem CID 142185321) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-(2-methylsulfanylethyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(2-methylsulfanylethyl)-2,3-dihydropyrrole
PubChem CID142185321
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1-(2-methylsulfanylethyl)-2,3-dihydropyrrole
SMILESCSCCN1C=CCC1
InChIInChI=1S/C7H13NS/c1-9-7-6-8-4-2-3-5-8/h2,4H,3,5-7H2,1H3
InChIKeyULBAYFMDIJQCNA-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethyl-3-(methylsulfanyl)prop-1-en-1-amine
CID 71325923
N,N-dimethyl-2,3-dihydrothiophen-2-amine
CID 18974873
1-((E)-3-methylthiobut-1-enyl)pyrrolidine
CID 44185543
(E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine
CID 46185759
3-but-3-enyl-2H-1,3-thiazole
CID 54573001
1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine
CID 57431074
1-[(Z)-3-methylsulfanylbut-1-enyl]pyrrolidine
CID 57554373
1-(3-Methylthiobut-1-enyl)pyrrolidine
CID 74944121
N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine
CID 75166264
1-[3-(Methylthio)prop-1-enyl]pyrrolidine
CID 76538844
1-[(E)-3-methanidylsulfanylbut-1-enyl]pyrrolidine
CID 91078841
(E)-N,N-diethyl-3-methylsulfanylbut-1-en-1-amine;ethane
CID 144019462

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylethyl)-2,3-dihydropyrrole?
The IUPAC name of 1-(2-methylsulfanylethyl)-2,3-dihydropyrrole (CID 142185321) is 1-(2-methylsulfanylethyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(2-methylsulfanylethyl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(2-methylsulfanylethyl)-2,3-dihydropyrrole is CSCCN1C=CCC1.
What is the InChIKey of 1-(2-methylsulfanylethyl)-2,3-dihydropyrrole?
The InChIKey is ULBAYFMDIJQCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-9-7-6-8-4-2-3-5-8/h2,4H,3,5-7H2,1H3.
What are the key properties of 1-(2-methylsulfanylethyl)-2,3-dihydropyrrole?
1-(2-methylsulfanylethyl)-2,3-dihydropyrrole has a molecular weight of 143.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethyl)-2,3-dihydropyrrole is sourced from PubChem (CID 142185321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).