(1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride

C7H12FNO3S — CID 131183536

IUPAC(1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride
SMILESCN1CCCC(CS(=O)(=O)F)C1=O
InChIInChI=1S/C7H12FNO3S/c1-9-4-2-3-6(7(9)10)5-13(8,11)12/h6H,2-5H2,1H3
InChIKeyBNUHXBPLMFOPLL-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.15
Rot. Bonds2

About (1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride

(1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride (PubChem CID 131183536) has the molecular formula C7H12FNO3S and a molecular weight of 209.24 g/mol. Its IUPAC name is (1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride
PubChem CID131183536
Molecular FormulaC7H12FNO3S
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name(1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride
SMILESCN1CCCC(CS(=O)(=O)F)C1=O
InChIInChI=1S/C7H12FNO3S/c1-9-4-2-3-6(7(9)10)5-13(8,11)12/h6H,2-5H2,1H3
InChIKeyBNUHXBPLMFOPLL-UHFFFAOYSA-N
XLogP0.15
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-2-oxopyrrolidin-3-yl)methanesulfonamide
CID 130942759
3-decyl-1-methylpiperidin-2-one
CID 175348950
(3S)-3-amino-1-methylpiperidin-2-one
CID 67416126
CID 171819218
CID 171819218
1-methyl-3-propan-2-ylpiperidin-2-one
CID 58763606
(3S)-3-amino-1-methylazepan-2-one
CID 14003483
3-amino-1-methylazepan-2-one;hydrochloride
CID 67416250
methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one
CID 158640398
(3R)-1-methyl-3-prop-2-enylpyrrolidin-2-one
CID 129366009
1-methyl-3-(pyrrolidin-2-ylmethyl)pyrrolidin-2-one
CID 142209775
2-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 68993926
(3S)-1-methyl-3-[2-(methylamino)ethyl]pyrrolidin-2-one
CID 122533105

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride?
The IUPAC name of (1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride (CID 131183536) is (1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride is CN1CCCC(CS(=O)(=O)F)C1=O.
What is the InChIKey of (1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride?
The InChIKey is BNUHXBPLMFOPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3S/c1-9-4-2-3-6(7(9)10)5-13(8,11)12/h6H,2-5H2,1H3.
What are the key properties of (1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride?
(1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride has a molecular weight of 209.24 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 131183536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).