N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide

C10H18F2N2O4S — CID 104858019

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCC(F)(F)CO)C1
InChIInChI=1S/C10H18F2N2O4S/c1-19(17,18)14-4-2-3-8(5-14)9(16)13-6-10(11,12)7-15/h8,15H,2-7H2,1H3,(H,13,16)
InChIKeyIHHHCVTYCLPVFB-UHFFFAOYSA-N
MW300.33 g/mol
LogP-0.60
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 104858019) has the molecular formula C10H18F2N2O4S and a molecular weight of 300.33 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID104858019
Molecular FormulaC10H18F2N2O4S
Molecular Weight300.33 g/mol
Exact Mass300.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCC(F)(F)CO)C1
InChIInChI=1S/C10H18F2N2O4S/c1-19(17,18)14-4-2-3-8(5-14)9(16)13-6-10(11,12)7-15/h8,15H,2-7H2,1H3,(H,13,16)
InChIKeyIHHHCVTYCLPVFB-UHFFFAOYSA-N
XLogP-0.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 103712870
N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 42939129
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 83031962
(3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 7030681
1-methylsulfonyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide
CID 81343242
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 115362212
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
2-methyl-3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 55105113
N-(2-cyclopropyl-2-hydroxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55171583
methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 60729585

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 104858019) is N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NCC(F)(F)CO)C1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is IHHHCVTYCLPVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O4S/c1-19(17,18)14-4-2-3-8(5-14)9(16)13-6-10(11,12)7-15/h8,15H,2-7H2,1H3,(H,13,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 300.33 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 104858019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).