N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide

C13H28N2O3S — CID 103896620

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCC(C)(C)CCCO)CC1
InChIInChI=1S/C13H28N2O3S/c1-12-5-8-15(9-6-12)19(17,18)14-11-13(2,3)7-4-10-16/h12,14,16H,4-11H2,1-3H3
InChIKeyFWNGUGBABRFFDE-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.35
Rot. Bonds7

About N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide

N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 103896620) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide
PubChem CID103896620
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCC(C)(C)CCCO)CC1
InChIInChI=1S/C13H28N2O3S/c1-12-5-8-15(9-6-12)19(17,18)14-11-13(2,3)7-4-10-16/h12,14,16H,4-11H2,1-3H3
InChIKeyFWNGUGBABRFFDE-UHFFFAOYSA-N
XLogP1.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 66174633
N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide
CID 106148888
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide
CID 115455401
(3S)-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-sulfonamide
CID 164643128
N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide
CID 115638619
N-(4-chloro-2,2-dimethylbutyl)azepane-1-sulfonamide
CID 106146071
N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide
CID 62966636
4-methyl-N-prop-2-enylpiperidine-1-sulfonamide
CID 60728428
N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide
CID 114008773
N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103465953
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide
CID 103466066
2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 104682900

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide (CID 103896620) is N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NCC(C)(C)CCCO)CC1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is FWNGUGBABRFFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-12-5-8-15(9-6-12)19(17,18)14-11-13(2,3)7-4-10-16/h12,14,16H,4-11H2,1-3H3.
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide?
N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 103896620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).