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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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).