4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide

C17H32N4O4S — CID 128943193

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NC2CCOCC2)CC1
InChIInChI=1S/C17H32N4O4S/c1-19(16-5-3-2-4-6-16)26(23,24)21-11-9-20(10-12-21)17(22)18-15-7-13-25-14-8-15/h15-16H,2-14H2,1H3,(H,18,22)
InChIKeyGCQMJMSEGQLYRX-UHFFFAOYSA-N
MW388.53 g/mol
LogP1.00
Rot. Bonds4

About 4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide

4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide (PubChem CID 128943193) has the molecular formula C17H32N4O4S and a molecular weight of 388.53 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide
PubChem CID128943193
Molecular FormulaC17H32N4O4S
Molecular Weight388.53 g/mol
Exact Mass388.21
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NC2CCOCC2)CC1
InChIInChI=1S/C17H32N4O4S/c1-19(16-5-3-2-4-6-16)26(23,24)21-11-9-20(10-12-21)17(22)18-15-7-13-25-14-8-15/h15-16H,2-14H2,1H3,(H,18,22)
InChIKeyGCQMJMSEGQLYRX-UHFFFAOYSA-N
XLogP1.00
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide (CID 128943193) is 4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NC2CCOCC2)CC1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide?
The InChIKey is GCQMJMSEGQLYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O4S/c1-19(16-5-3-2-4-6-16)26(23,24)21-11-9-20(10-12-21)17(22)18-15-7-13-25-14-8-15/h15-16H,2-14H2,1H3,(H,18,22).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide has a molecular weight of 388.53 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 128943193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).