4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide

C14H27N3O4S — CID 56797555

IUPAC4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)NCC1(C(N)=O)CCOCC1
InChIInChI=1S/C14H27N3O4S/c1-17(12-5-3-2-4-6-12)22(19,20)16-11-14(13(15)18)7-9-21-10-8-14/h12,16H,2-11H2,1H3,(H2,15,18)
InChIKeyNVQHGHQYGDKLOL-UHFFFAOYSA-N
MW333.45 g/mol
LogP0.37
Rot. Bonds6

About 4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide

4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide (PubChem CID 56797555) has the molecular formula C14H27N3O4S and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide
PubChem CID56797555
Molecular FormulaC14H27N3O4S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC Name4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)NCC1(C(N)=O)CCOCC1
InChIInChI=1S/C14H27N3O4S/c1-17(12-5-3-2-4-6-12)22(19,20)16-11-14(13(15)18)7-9-21-10-8-14/h12,16H,2-11H2,1H3,(H2,15,18)
InChIKeyNVQHGHQYGDKLOL-UHFFFAOYSA-N
XLogP0.37
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide (CID 56797555) is 4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide is CN(C1CCCCC1)S(=O)(=O)NCC1(C(N)=O)CCOCC1.
What is the InChIKey of 4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide?
The InChIKey is NVQHGHQYGDKLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4S/c1-17(12-5-3-2-4-6-12)22(19,20)16-11-14(13(15)18)7-9-21-10-8-14/h12,16H,2-11H2,1H3,(H2,15,18).
What are the key properties of 4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide?
4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 56797555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).