N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide

C10H20N2O4S — CID 83031962

IUPACN-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESC[C@@H](O)CNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O4S/c1-8(13)6-11-10(14)9-4-3-5-12(7-9)17(2,15)16/h8-9,13H,3-7H2,1-2H3,(H,11,14)/t8-,9?/m1/s1
InChIKeyOYMBBLFGQBHEFH-VEDVMXKPSA-N
MW264.35 g/mol
LogP-0.85
Rot. Bonds4

About N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide

N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 83031962) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID83031962
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC NameN-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESC[C@@H](O)CNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O4S/c1-8(13)6-11-10(14)9-4-3-5-12(7-9)17(2,15)16/h8-9,13H,3-7H2,1-2H3,(H,11,14)/t8-,9?/m1/s1
InChIKeyOYMBBLFGQBHEFH-VEDVMXKPSA-N
XLogP-0.85
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55171583
2-methyl-3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 55105113
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
(3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 7030681
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
(3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 124759709
3-N-[(2S)-2-hydroxypropyl]piperidine-1,3-dicarboxamide
CID 83059648
(3R)-1-(dimethylsulfamoyl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 28567035
N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide
CID 115410119
N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 104858019
methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 60729585
(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 83031962) is N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide is C[C@@H](O)CNC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is OYMBBLFGQBHEFH-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(13)6-11-10(14)9-4-3-5-12(7-9)17(2,15)16/h8-9,13H,3-7H2,1-2H3,(H,11,14)/t8-,9?/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 83031962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).