methyl 2-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboxylate

C13H26N2O4S — CID 91644404

IUPACmethyl 2-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboxylate
SMILESCOC(=O)C1CCCCCC1NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C13H26N2O4S/c1-10(2)15(3)20(17,18)14-12-9-7-5-6-8-11(12)13(16)19-4/h10-12,14H,5-9H2,1-4H3
InChIKeyAYWMNODDUDEJCO-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.28
Rot. Bonds5

About methyl 2-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboxylate

methyl 2-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboxylate (PubChem CID 91644404) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is methyl 2-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboxylate
PubChem CID91644404
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Namemethyl 2-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboxylate
SMILESCOC(=O)C1CCCCCC1NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C13H26N2O4S/c1-10(2)15(3)20(17,18)14-12-9-7-5-6-8-11(12)13(16)19-4/h10-12,14H,5-9H2,1-4H3
InChIKeyAYWMNODDUDEJCO-UHFFFAOYSA-N
XLogP1.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboxylate?
The IUPAC name of methyl 2-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboxylate (CID 91644404) is methyl 2-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboxylate.
What is the SMILES notation for methyl 2-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboxylate?
The canonical SMILES for methyl 2-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboxylate is COC(=O)C1CCCCCC1NS(=O)(=O)N(C)C(C)C.
What is the InChIKey of methyl 2-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboxylate?
The InChIKey is AYWMNODDUDEJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-10(2)15(3)20(17,18)14-12-9-7-5-6-8-11(12)13(16)19-4/h10-12,14H,5-9H2,1-4H3.
What are the key properties of methyl 2-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboxylate?
methyl 2-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboxylate has a molecular weight of 306.43 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboxylate is sourced from PubChem (CID 91644404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).