3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol

C10H17N3O3S — CID 113343875

IUPAC3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol
SMILESCn1cnc(S(=O)(=O)N2CCCC(C)(O)C2)c1
InChIInChI=1S/C10H17N3O3S/c1-10(14)4-3-5-13(7-10)17(15,16)9-6-12(2)8-11-9/h6,8,14H,3-5,7H2,1-2H3
InChIKeyQKKKXWJNXDKZIU-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.04
Rot. Bonds2

About 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol

3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol (PubChem CID 113343875) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol
PubChem CID113343875
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol
SMILESCn1cnc(S(=O)(=O)N2CCCC(C)(O)C2)c1
InChIInChI=1S/C10H17N3O3S/c1-10(14)4-3-5-13(7-10)17(15,16)9-6-12(2)8-11-9/h6,8,14H,3-5,7H2,1-2H3
InChIKeyQKKKXWJNXDKZIU-UHFFFAOYSA-N
XLogP-0.04
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 110258940
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63149609
(3R)-1-(1-methylimidazol-4-yl)sulfonyl-3-propylpiperidine-3-carboxylic acid
CID 95017870
(5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one
CID 97489759
3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 110257201
2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718639
4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carbothioamide
CID 107161341
3-ethyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 55167113
9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 23135203
1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide
CID 110268389
1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 66934082

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol?
The IUPAC name of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol (CID 113343875) is 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol?
The canonical SMILES for 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol is Cn1cnc(S(=O)(=O)N2CCCC(C)(O)C2)c1.
What is the InChIKey of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol?
The InChIKey is QKKKXWJNXDKZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-10(14)4-3-5-13(7-10)17(15,16)9-6-12(2)8-11-9/h6,8,14H,3-5,7H2,1-2H3.
What are the key properties of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol?
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol has a molecular weight of 259.33 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 113343875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).