cycloheptylsulfamoyl carbamate

C8H16N2O4S — CID 87698075

IUPACcycloheptylsulfamoyl carbamate
SMILESNC(=O)OS(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C8H16N2O4S/c9-8(11)14-15(12,13)10-7-5-3-1-2-4-6-7/h7,10H,1-6H2,(H2,9,11)
InChIKeyRXNBEMSBWKTNDQ-UHFFFAOYSA-N
MW236.29 g/mol
LogP0.64
Rot. Bonds3

About cycloheptylsulfamoyl carbamate

cycloheptylsulfamoyl carbamate (PubChem CID 87698075) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is cycloheptylsulfamoyl carbamate.

Molecular Properties

Compound Namecycloheptylsulfamoyl carbamate
PubChem CID87698075
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Namecycloheptylsulfamoyl carbamate
SMILESNC(=O)OS(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C8H16N2O4S/c9-8(11)14-15(12,13)10-7-5-3-1-2-4-6-7/h7,10H,1-6H2,(H2,9,11)
InChIKeyRXNBEMSBWKTNDQ-UHFFFAOYSA-N
XLogP0.64
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclononylsulfamic acid
CID 67135870
(cyclohexylamino) N-cyclohexylsulfamate
CID 87694019
CID 68761393
CID 68761393
cyclohexylsulfamic acid;hydrochloride
CID 67875894
methyl 2-(cyclohexylsulfamoyl)propanoate
CID 63362940
(1-aminocyclohexyl) N-cyclohexylsulfamate
CID 87589048
N-cyclohexylsulfamoyl iodide
CID 155625677
cyclopentylsulfamic acid
CID 21123026
ethyl N-cyclohexylsulfamate
CID 12914623
propan-2-yl N-cyclohexylsulfamate
CID 56638183
N-cycloheptylmethanesulfonamide
CID 3113423
(2S)-2-aminopropanoic acid;cyclohexylsulfamic acid
CID 67762243

Frequently Asked Questions

What is the IUPAC name of cycloheptylsulfamoyl carbamate?
The IUPAC name of cycloheptylsulfamoyl carbamate (CID 87698075) is cycloheptylsulfamoyl carbamate.
What is the SMILES notation for cycloheptylsulfamoyl carbamate?
The canonical SMILES for cycloheptylsulfamoyl carbamate is NC(=O)OS(=O)(=O)NC1CCCCCC1.
What is the InChIKey of cycloheptylsulfamoyl carbamate?
The InChIKey is RXNBEMSBWKTNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c9-8(11)14-15(12,13)10-7-5-3-1-2-4-6-7/h7,10H,1-6H2,(H2,9,11).
What are the key properties of cycloheptylsulfamoyl carbamate?
cycloheptylsulfamoyl carbamate has a molecular weight of 236.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptylsulfamoyl carbamate is sourced from PubChem (CID 87698075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).