1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide

C10H16N4O3S — CID 103859885

IUPAC1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide
SMILESCn1cnc(C(=O)N2CCCC(S(N)(=O)=O)C2)c1
InChIInChI=1S/C10H16N4O3S/c1-13-6-9(12-7-13)10(15)14-4-2-3-8(5-14)18(11,16)17/h6-8H,2-5H2,1H3,(H2,11,16,17)
InChIKeyMTHAVPZXWLLYKZ-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.69
Rot. Bonds2

About 1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide

1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide (PubChem CID 103859885) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide
PubChem CID103859885
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide
SMILESCn1cnc(C(=O)N2CCCC(S(N)(=O)=O)C2)c1
InChIInChI=1S/C10H16N4O3S/c1-13-6-9(12-7-13)10(15)14-4-2-3-8(5-14)18(11,16)17/h6-8H,2-5H2,1H3,(H2,11,16,17)
InChIKeyMTHAVPZXWLLYKZ-UHFFFAOYSA-N
XLogP-0.69
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 107971610
ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103803360
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-sulfonamide
CID 61128657
(4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone
CID 118771341
(3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 107975437
(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 114278485
1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide
CID 64867620
[(5aS,9aR)-1-methylsulfonyl-3,4,5,5a,6,8,9,9a-octahydro-2H-pyrido[4,3-b]azepin-7-yl]-(1-methylimidazol-4-yl)methanone
CID 110143101
[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970864
1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide
CID 62830617

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide?
The IUPAC name of 1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide (CID 103859885) is 1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide.
What is the SMILES notation for 1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide?
The canonical SMILES for 1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide is Cn1cnc(C(=O)N2CCCC(S(N)(=O)=O)C2)c1.
What is the InChIKey of 1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide?
The InChIKey is MTHAVPZXWLLYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-13-6-9(12-7-13)10(15)14-4-2-3-8(5-14)18(11,16)17/h6-8H,2-5H2,1H3,(H2,11,16,17).
What are the key properties of 1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide?
1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide has a molecular weight of 272.33 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide is sourced from PubChem (CID 103859885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).