N-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide

C10H22N2O3S — CID 114809879

IUPACN-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide
SMILESCC1CN(S(=O)(=O)NC(C)(C)C)CCC1O
InChIInChI=1S/C10H22N2O3S/c1-8-7-12(6-5-9(8)13)16(14,15)11-10(2,3)4/h8-9,11,13H,5-7H2,1-4H3
InChIKeyUMHWBSOVYKBQPV-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.32
Rot. Bonds2

About N-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide

N-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide (PubChem CID 114809879) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide
PubChem CID114809879
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide
SMILESCC1CN(S(=O)(=O)NC(C)(C)C)CCC1O
InChIInChI=1S/C10H22N2O3S/c1-8-7-12(6-5-9(8)13)16(14,15)11-10(2,3)4/h8-9,11,13H,5-7H2,1-4H3
InChIKeyUMHWBSOVYKBQPV-UHFFFAOYSA-N
XLogP0.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol
CID 114679039
N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide
CID 114501631
methyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate
CID 114680638
3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol
CID 114679139
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680582
1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680539
methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 114680534
N-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide
CID 114809658
N-cyclohexyl-4-hydroxy-N,3-dimethylpiperidine-1-sulfonamide
CID 114680633
3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol
CID 114683822
(3S,4S)-1-(2,4-dichloro-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 99828026
1-(2-amino-5-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114677579

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide (CID 114809879) is N-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide is CC1CN(S(=O)(=O)NC(C)(C)C)CCC1O.
What is the InChIKey of N-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide?
The InChIKey is UMHWBSOVYKBQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-8-7-12(6-5-9(8)13)16(14,15)11-10(2,3)4/h8-9,11,13H,5-7H2,1-4H3.
What are the key properties of N-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide?
N-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 114809879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).