3-hydroxy-1-(1-methylimidazol-2-yl)sulfonylazepane-2-carboxamide

C11H18N4O4S — CID 173158646

IUPAC3-hydroxy-1-(1-methylimidazol-2-yl)sulfonylazepane-2-carboxamide
SMILESCn1ccnc1S(=O)(=O)N1CCCCC(O)C1C(N)=O
InChIInChI=1S/C11H18N4O4S/c1-14-7-5-13-11(14)20(18,19)15-6-3-2-4-8(16)9(15)10(12)17/h5,7-9,16H,2-4,6H2,1H3,(H2,12,17)
InChIKeyWUOKOKTXOHFPQM-UHFFFAOYSA-N
MW302.36 g/mol
LogP-1.19
Rot. Bonds3

About 3-hydroxy-1-(1-methylimidazol-2-yl)sulfonylazepane-2-carboxamide

3-hydroxy-1-(1-methylimidazol-2-yl)sulfonylazepane-2-carboxamide (PubChem CID 173158646) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-hydroxy-1-(1-methylimidazol-2-yl)sulfonylazepane-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-(1-methylimidazol-2-yl)sulfonylazepane-2-carboxamide
PubChem CID173158646
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name3-hydroxy-1-(1-methylimidazol-2-yl)sulfonylazepane-2-carboxamide
SMILESCn1ccnc1S(=O)(=O)N1CCCCC(O)C1C(N)=O
InChIInChI=1S/C11H18N4O4S/c1-14-7-5-13-11(14)20(18,19)15-6-3-2-4-8(16)9(15)10(12)17/h5,7-9,16H,2-4,6H2,1H3,(H2,12,17)
InChIKeyWUOKOKTXOHFPQM-UHFFFAOYSA-N
XLogP-1.19
TPSA118.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide
CID 35329889
1-methylimidazole-2-sulfonic acid;hydrochloride
CID 174969416
[2,2-difluoro-1-methoxy-2-(1-oxidopyridin-1-ium-2-yl)-1-phenylethyl] (2S)-1-(1-methylimidazol-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 89266832
1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide
CID 43415310
trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol
CID 7140327
[(1R)-cyclohex-3-en-1-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone
CID 100719668
1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54980224
1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54980474
1-methylsulfonylpiperidine-2-carboxamide
CID 43236894
1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride
CID 22018176
(2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide
CID 100633794
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(1-methylimidazol-2-yl)sulfonylazepane-2-carboxamide?
The IUPAC name of 3-hydroxy-1-(1-methylimidazol-2-yl)sulfonylazepane-2-carboxamide (CID 173158646) is 3-hydroxy-1-(1-methylimidazol-2-yl)sulfonylazepane-2-carboxamide.
What is the SMILES notation for 3-hydroxy-1-(1-methylimidazol-2-yl)sulfonylazepane-2-carboxamide?
The canonical SMILES for 3-hydroxy-1-(1-methylimidazol-2-yl)sulfonylazepane-2-carboxamide is Cn1ccnc1S(=O)(=O)N1CCCCC(O)C1C(N)=O.
What is the InChIKey of 3-hydroxy-1-(1-methylimidazol-2-yl)sulfonylazepane-2-carboxamide?
The InChIKey is WUOKOKTXOHFPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-14-7-5-13-11(14)20(18,19)15-6-3-2-4-8(16)9(15)10(12)17/h5,7-9,16H,2-4,6H2,1H3,(H2,12,17).
What are the key properties of 3-hydroxy-1-(1-methylimidazol-2-yl)sulfonylazepane-2-carboxamide?
3-hydroxy-1-(1-methylimidazol-2-yl)sulfonylazepane-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(1-methylimidazol-2-yl)sulfonylazepane-2-carboxamide is sourced from PubChem (CID 173158646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).