2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide

C13H25FN2O3S — CID 154751979

IUPAC2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide
SMILESCC(C)CS(=O)(=O)N1CCC(NC(=O)C(C)(C)F)CC1
InChIInChI=1S/C13H25FN2O3S/c1-10(2)9-20(18,19)16-7-5-11(6-8-16)15-12(17)13(3,4)14/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyVCHIBYZKDBACKQ-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.30
Rot. Bonds5

About 2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide

2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide (PubChem CID 154751979) has the molecular formula C13H25FN2O3S and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide
PubChem CID154751979
Molecular FormulaC13H25FN2O3S
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide
SMILESCC(C)CS(=O)(=O)N1CCC(NC(=O)C(C)(C)F)CC1
InChIInChI=1S/C13H25FN2O3S/c1-10(2)9-20(18,19)16-7-5-11(6-8-16)15-12(17)13(3,4)14/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyVCHIBYZKDBACKQ-UHFFFAOYSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide
CID 120874179
2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide
CID 119047962
2-bromo-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylbutanamide
CID 61251555
2-fluoro-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 130165281
(2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 61154783
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 43696323
N-[1-(2-chloroethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 107651086
N-(4-aminocyclohexyl)-2-fluoro-2-methylpropanamide
CID 126982038
N-[1-(dimethylsulfamoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 110823128
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide
CID 61274117
1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627601
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 75537886

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide (CID 154751979) is 2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide is CC(C)CS(=O)(=O)N1CCC(NC(=O)C(C)(C)F)CC1.
What is the InChIKey of 2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide?
The InChIKey is VCHIBYZKDBACKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O3S/c1-10(2)9-20(18,19)16-7-5-11(6-8-16)15-12(17)13(3,4)14/h10-11H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide?
2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide has a molecular weight of 308.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 154751979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).