1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide

C8H12FN3O2S — CID 146509533

IUPAC1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ncc(F)cn1
InChIInChI=1S/C8H12FN3O2S/c1-6(2)12-15(13,14)5-8-10-3-7(9)4-11-8/h3-4,6,12H,5H2,1-2H3
InChIKeyMWYYQALIKDCMGQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.44
Rot. Bonds4

About 1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide

1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide (PubChem CID 146509533) has the molecular formula C8H12FN3O2S and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide
PubChem CID146509533
Molecular FormulaC8H12FN3O2S
Molecular Weight233.27 g/mol
Exact Mass233.06
IUPAC Name1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ncc(F)cn1
InChIInChI=1S/C8H12FN3O2S/c1-6(2)12-15(13,14)5-8-10-3-7(9)4-11-8/h3-4,6,12H,5H2,1-2H3
InChIKeyMWYYQALIKDCMGQ-UHFFFAOYSA-N
XLogP0.44
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-pyridinyl)-N-propan-2-ylmethanesulfonamide
CID 126637158
5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine
CID 163656724
(2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid
CID 134540996
1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
CID 134541686
5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine
CID 115750151
N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide
CID 18156175
(2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide
CID 159694547
1-(5-fluoropyrimidin-2-yl)-4-methylpentan-3-one
CID 170610136
3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide
CID 65482273
2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 102675409
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270
5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine
CID 126560646

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide (CID 146509533) is 1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)Cc1ncc(F)cn1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is MWYYQALIKDCMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2S/c1-6(2)12-15(13,14)5-8-10-3-7(9)4-11-8/h3-4,6,12H,5H2,1-2H3.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide?
1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 233.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 146509533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).