5-propan-2-ylsulfonylpyrrolidin-2-one

C7H13NO3S — CID 58342281

IUPAC5-propan-2-ylsulfonylpyrrolidin-2-one
SMILESCC(C)S(=O)(=O)C1CCC(=O)N1
InChIInChI=1S/C7H13NO3S/c1-5(2)12(10,11)7-4-3-6(9)8-7/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyONHHRKLAWGUUTK-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.05
Rot. Bonds2

About 5-propan-2-ylsulfonylpyrrolidin-2-one

5-propan-2-ylsulfonylpyrrolidin-2-one (PubChem CID 58342281) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 5-propan-2-ylsulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name5-propan-2-ylsulfonylpyrrolidin-2-one
PubChem CID58342281
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name5-propan-2-ylsulfonylpyrrolidin-2-one
SMILESCC(C)S(=O)(=O)C1CCC(=O)N1
InChIInChI=1S/C7H13NO3S/c1-5(2)12(10,11)7-4-3-6(9)8-7/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyONHHRKLAWGUUTK-UHFFFAOYSA-N
XLogP0.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxidotetrahydrothiophen-3-yl)butyramide
CID 18573523
(4S)-4-methanesulfonylpyrrolidin-2-one
CID 130787450
(r)-4-Acetylthio-2-pyrrolidinone
CID 10313245
N-(1,1-dioxothiolan-2-yl)-2,2,2-trifluoroacetamide
CID 150291440
(S)-S-(5-Oxopyrrolidin-3-yl) ethanethioate
CID 10534964
(4S)-4-(acetylsulfanyl)pyrrolidin-2-one
CID 14456882
2-Methyl-1,1-dioxo-1,3-thiazolidin-4-one
CID 19595409
5-Isopropylthio-pyrrolidin-2-one
CID 19868700
5-Propylthio-pyrrolidin-2-one
CID 19868701
5-Ethylthio pyrrolidin-2-one
CID 19868705
5-Methylsulfanylpyrrolidin-2-one
CID 20261918
2-Tert-butyl-1,1-dioxo-1,3-thiazolidin-4-one
CID 20804951

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylsulfonylpyrrolidin-2-one?
The IUPAC name of 5-propan-2-ylsulfonylpyrrolidin-2-one (CID 58342281) is 5-propan-2-ylsulfonylpyrrolidin-2-one.
What is the SMILES notation for 5-propan-2-ylsulfonylpyrrolidin-2-one?
The canonical SMILES for 5-propan-2-ylsulfonylpyrrolidin-2-one is CC(C)S(=O)(=O)C1CCC(=O)N1.
What is the InChIKey of 5-propan-2-ylsulfonylpyrrolidin-2-one?
The InChIKey is ONHHRKLAWGUUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-5(2)12(10,11)7-4-3-6(9)8-7/h5,7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 5-propan-2-ylsulfonylpyrrolidin-2-one?
5-propan-2-ylsulfonylpyrrolidin-2-one has a molecular weight of 191.25 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylsulfonylpyrrolidin-2-one is sourced from PubChem (CID 58342281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).