3-methylsulfanyl-1-(oxan-4-yl)pyrrolidin-2-one

C10H17NO2S — CID 71981305

IUPAC3-methylsulfanyl-1-(oxan-4-yl)pyrrolidin-2-one
SMILESCSC1CCN(C2CCOCC2)C1=O
InChIInChI=1S/C10H17NO2S/c1-14-9-2-5-11(10(9)12)8-3-6-13-7-4-8/h8-9H,2-7H2,1H3
InChIKeyZMAMFMPELSRANW-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.13
Rot. Bonds2

About 3-methylsulfanyl-1-(oxan-4-yl)pyrrolidin-2-one

3-methylsulfanyl-1-(oxan-4-yl)pyrrolidin-2-one (PubChem CID 71981305) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-methylsulfanyl-1-(oxan-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-methylsulfanyl-1-(oxan-4-yl)pyrrolidin-2-one
PubChem CID71981305
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name3-methylsulfanyl-1-(oxan-4-yl)pyrrolidin-2-one
SMILESCSC1CCN(C2CCOCC2)C1=O
InChIInChI=1S/C10H17NO2S/c1-14-9-2-5-11(10(9)12)8-3-6-13-7-4-8/h8-9H,2-7H2,1H3
InChIKeyZMAMFMPELSRANW-UHFFFAOYSA-N
XLogP1.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 59378711
5-Methoxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one
CID 154623399
3-Ethylsulfanyl-5-methoxy-1-propan-2-ylpyrrolidin-2-one
CID 155453403
5-Methoxy-1-propan-2-yl-4-propan-2-ylsulfanylpyrrolidin-2-one
CID 164054694
N-methyl-2-(oxan-4-ylsulfanyl)-N-propan-2-ylpropanamide
CID 71909546
1-Cyclopropyl-3-(oxan-4-ylmethylsulfanyl)pyrrolidin-2-one
CID 84585858
3-(2-Methyloxolan-3-yl)sulfanyl-1-propan-2-ylpyrrolidin-2-one
CID 84589445
(2R)-N-methyl-2-(oxan-4-ylsulfanyl)-N-propan-2-ylpropanamide
CID 97083220
(2S)-N-methyl-2-(oxan-4-ylsulfanyl)-N-propan-2-ylpropanamide
CID 97083221
(3S)-1-cyclopropyl-3-(oxan-4-ylmethylsulfanyl)pyrrolidin-2-one
CID 97591587
(3R)-1-cyclopropyl-3-(oxan-4-ylmethylsulfanyl)pyrrolidin-2-one
CID 97591588
(3R)-3-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-1-propan-2-ylpyrrolidin-2-one
CID 97605847

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-(oxan-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-methylsulfanyl-1-(oxan-4-yl)pyrrolidin-2-one (CID 71981305) is 3-methylsulfanyl-1-(oxan-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-methylsulfanyl-1-(oxan-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-methylsulfanyl-1-(oxan-4-yl)pyrrolidin-2-one is CSC1CCN(C2CCOCC2)C1=O.
What is the InChIKey of 3-methylsulfanyl-1-(oxan-4-yl)pyrrolidin-2-one?
The InChIKey is ZMAMFMPELSRANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-14-9-2-5-11(10(9)12)8-3-6-13-7-4-8/h8-9H,2-7H2,1H3.
What are the key properties of 3-methylsulfanyl-1-(oxan-4-yl)pyrrolidin-2-one?
3-methylsulfanyl-1-(oxan-4-yl)pyrrolidin-2-one has a molecular weight of 215.32 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-(oxan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 71981305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).