3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine

C10H13FN2O4S — CID 154880858

IUPAC3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine
SMILESCC(C)N(C)C(=O)c1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C10H13FN2O4S/c1-7(2)13(3)10(14)8-4-9(6-12-5-8)17-18(11,15)16/h4-7H,1-3H3
InChIKeyPMNVCEPOTLEYPV-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.16
Rot. Bonds4

About 3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine

3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine (PubChem CID 154880858) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine.

Molecular Properties

Compound Name3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine
PubChem CID154880858
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Name3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine
SMILESCC(C)N(C)C(=O)c1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C10H13FN2O4S/c1-7(2)13(3)10(14)8-4-9(6-12-5-8)17-18(11,15)16/h4-7H,1-3H3
InChIKeyPMNVCEPOTLEYPV-UHFFFAOYSA-N
XLogP1.16
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-5-fluorosulfonyloxypyridine
CID 154880984
3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine
CID 154881437
3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine
CID 154880992
3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide
CID 86920278
3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine
CID 146097150
1-(5-methoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one
CID 115793396
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 115869418
3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine
CID 166417226
4-(5-fluorosulfonyloxypyridine-3-carbonyl)-3,3-dimethyl-1,4-oxazepane
CID 154881283
3-[(2,2-dimethyloxan-4-yl)carbamoyl]-5-fluorosulfonyloxypyridine
CID 154880990
N-(1-aminopropan-2-yl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 115737346
3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine
CID 154881440

Frequently Asked Questions

What is the IUPAC name of 3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine?
The IUPAC name of 3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine (CID 154880858) is 3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine.
What is the SMILES notation for 3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine?
The canonical SMILES for 3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine is CC(C)N(C)C(=O)c1cncc(OS(=O)(=O)F)c1.
What is the InChIKey of 3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine?
The InChIKey is PMNVCEPOTLEYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c1-7(2)13(3)10(14)8-4-9(6-12-5-8)17-18(11,15)16/h4-7H,1-3H3.
What are the key properties of 3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine?
3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine has a molecular weight of 276.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine is sourced from PubChem (CID 154880858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).