1-methyl-2-methylsulfanylpyrrolidine

C6H13NS — CID 123227338

IUPAC1-methyl-2-methylsulfanylpyrrolidine
SMILESCSC1CCCN1C
InChIInChI=1S/C6H13NS/c1-7-5-3-4-6(7)8-2/h6H,3-5H2,1-2H3
InChIKeyYLVVESKZBBCZQK-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.40
Rot. Bonds1

About 1-methyl-2-methylsulfanylpyrrolidine

1-methyl-2-methylsulfanylpyrrolidine (PubChem CID 123227338) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 1-methyl-2-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name1-methyl-2-methylsulfanylpyrrolidine
PubChem CID123227338
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name1-methyl-2-methylsulfanylpyrrolidine
SMILESCSC1CCCN1C
InChIInChI=1S/C6H13NS/c1-7-5-3-4-6(7)8-2/h6H,3-5H2,1-2H3
InChIKeyYLVVESKZBBCZQK-UHFFFAOYSA-N
XLogP1.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 134184047
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CID 164561230
CID 164561230
CID 24195886
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CID 5325806
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CID 3038843
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CID 159503107
CID 159503107
CID 13356757
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CID 13356758
CID 13356758

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfanylpyrrolidine?
The IUPAC name of 1-methyl-2-methylsulfanylpyrrolidine (CID 123227338) is 1-methyl-2-methylsulfanylpyrrolidine.
What is the SMILES notation for 1-methyl-2-methylsulfanylpyrrolidine?
The canonical SMILES for 1-methyl-2-methylsulfanylpyrrolidine is CSC1CCCN1C.
What is the InChIKey of 1-methyl-2-methylsulfanylpyrrolidine?
The InChIKey is YLVVESKZBBCZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-7-5-3-4-6(7)8-2/h6H,3-5H2,1-2H3.
What are the key properties of 1-methyl-2-methylsulfanylpyrrolidine?
1-methyl-2-methylsulfanylpyrrolidine has a molecular weight of 131.24 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfanylpyrrolidine is sourced from PubChem (CID 123227338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).