N-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide

C13H26N2O4S — CID 103712870

IUPACN-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCCC(C)(O)CNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H26N2O4S/c1-4-7-13(2,17)10-14-12(16)11-6-5-8-15(9-11)20(3,18)19/h11,17H,4-10H2,1-3H3,(H,14,16)
InChIKeyBNSYNWOXQLGGEI-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.33
Rot. Bonds6

About N-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 103712870) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID103712870
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC NameN-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCCC(C)(O)CNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H26N2O4S/c1-4-7-13(2,17)10-14-12(16)11-6-5-8-15(9-11)20(3,18)19/h11,17H,4-10H2,1-3H3,(H,14,16)
InChIKeyBNSYNWOXQLGGEI-UHFFFAOYSA-N
XLogP0.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 104858019
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
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
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
1-methylsulfonyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide
CID 81343242
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 115362212
5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 62032860

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 103712870) is N-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide is CCCC(C)(O)CNC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is BNSYNWOXQLGGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-4-7-13(2,17)10-14-12(16)11-6-5-8-15(9-11)20(3,18)19/h11,17H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 103712870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).