3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

C11H18N4O3S — CID 110258940

IUPAC3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(C)(C(N)=O)C2)c1
InChIInChI=1S/C11H18N4O3S/c1-11(10(12)16)4-3-5-15(7-11)19(17,18)9-6-14(2)8-13-9/h6,8H,3-5,7H2,1-2H3,(H2,12,16)
InChIKeyYJRUGIMLLPTWJS-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.30
Rot. Bonds3

About 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 110258940) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID110258940
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(C)(C(N)=O)C2)c1
InChIInChI=1S/C11H18N4O3S/c1-11(10(12)16)4-3-5-15(7-11)19(17,18)9-6-14(2)8-13-9/h6,8H,3-5,7H2,1-2H3,(H2,12,16)
InChIKeyYJRUGIMLLPTWJS-UHFFFAOYSA-N
XLogP-0.30
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol
CID 113343875
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63149609
4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carbothioamide
CID 107161341
(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-ethyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 55167113
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
N,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxamide
CID 110268389
(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine
CID 95715901
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 110258940) is 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is Cn1cnc(S(=O)(=O)N2CCCC(C)(C(N)=O)C2)c1.
What is the InChIKey of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is YJRUGIMLLPTWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-11(10(12)16)4-3-5-15(7-11)19(17,18)9-6-14(2)8-13-9/h6,8H,3-5,7H2,1-2H3,(H2,12,16).
What are the key properties of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.30, 3 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)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 110258940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).