1,2-dimethyl-3-methylsulfanylpyrrolidine

C7H15NS — CID 20829759

IUPAC1,2-dimethyl-3-methylsulfanylpyrrolidine
SMILESCSC1CCN(C)C1C
InChIInChI=1S/C7H15NS/c1-6-7(9-3)4-5-8(6)2/h6-7H,4-5H2,1-3H3
InChIKeyUSMCSKCITVEELF-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.44
Rot. Bonds1

About 1,2-dimethyl-3-methylsulfanylpyrrolidine

1,2-dimethyl-3-methylsulfanylpyrrolidine (PubChem CID 20829759) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1,2-dimethyl-3-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name1,2-dimethyl-3-methylsulfanylpyrrolidine
PubChem CID20829759
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1,2-dimethyl-3-methylsulfanylpyrrolidine
SMILESCSC1CCN(C)C1C
InChIInChI=1S/C7H15NS/c1-6-7(9-3)4-5-8(6)2/h6-7H,4-5H2,1-3H3
InChIKeyUSMCSKCITVEELF-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(methylsulfanyl)methyl]pyrrolidine
CID 7022767
[(2S)-1-ethylpyrrolidin-2-yl]methanethiol
CID 45088079
(2R)-2-[(methylsulfanyl)methyl]pyrrolidine
CID 7141588
3-Fluoro-5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine
CID 71221023
3-Fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine
CID 142151835
(2S)-4,4-difluoro-1-methyl-2-(methylsulfanylmethyl)pyrrolidine
CID 156141652
(1-Methylpyrrolidin-2-yl)methyl thiohypofluorite
CID 166533870
2-[(Methylsulfanyl)methyl]pyrrolidine
CID 4715024
2-(Fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine
CID 131219738
1-(2-Fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine
CID 131224495
[(2S)-1-methylpyrrolidin-2-yl]methanethiol
CID 10866373
1-Methylpyrrolidine-2-carbothialdehyde
CID 12900656

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-methylsulfanylpyrrolidine?
The IUPAC name of 1,2-dimethyl-3-methylsulfanylpyrrolidine (CID 20829759) is 1,2-dimethyl-3-methylsulfanylpyrrolidine.
What is the SMILES notation for 1,2-dimethyl-3-methylsulfanylpyrrolidine?
The canonical SMILES for 1,2-dimethyl-3-methylsulfanylpyrrolidine is CSC1CCN(C)C1C.
What is the InChIKey of 1,2-dimethyl-3-methylsulfanylpyrrolidine?
The InChIKey is USMCSKCITVEELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6-7(9-3)4-5-8(6)2/h6-7H,4-5H2,1-3H3.
What are the key properties of 1,2-dimethyl-3-methylsulfanylpyrrolidine?
1,2-dimethyl-3-methylsulfanylpyrrolidine has a molecular weight of 145.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-methylsulfanylpyrrolidine is sourced from PubChem (CID 20829759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).