(sulfonylamino) N-cyclohexyl-N-methylcarbamate

C8H14N2O4S — CID 151465732

IUPAC(sulfonylamino) N-cyclohexyl-N-methylcarbamate
SMILESCN(C(=O)ON=S(=O)=O)C1CCCCC1
InChIInChI=1S/C8H14N2O4S/c1-10(7-5-3-2-4-6-7)8(11)14-9-15(12)13/h7H,2-6H2,1H3
InChIKeyPJKCWJYAALEXCT-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.37
Rot. Bonds2

About (sulfonylamino) N-cyclohexyl-N-methylcarbamate

(sulfonylamino) N-cyclohexyl-N-methylcarbamate (PubChem CID 151465732) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is (sulfonylamino) N-cyclohexyl-N-methylcarbamate.

Molecular Properties

Compound Name(sulfonylamino) N-cyclohexyl-N-methylcarbamate
PubChem CID151465732
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name(sulfonylamino) N-cyclohexyl-N-methylcarbamate
SMILESCN(C(=O)ON=S(=O)=O)C1CCCCC1
InChIInChI=1S/C8H14N2O4S/c1-10(7-5-3-2-4-6-7)8(11)14-9-15(12)13/h7H,2-6H2,1H3
InChIKeyPJKCWJYAALEXCT-UHFFFAOYSA-N
XLogP1.37
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (sulfonylamino) N-cyclohexyl-N-methylcarbamate?
The IUPAC name of (sulfonylamino) N-cyclohexyl-N-methylcarbamate (CID 151465732) is (sulfonylamino) N-cyclohexyl-N-methylcarbamate.
What is the SMILES notation for (sulfonylamino) N-cyclohexyl-N-methylcarbamate?
The canonical SMILES for (sulfonylamino) N-cyclohexyl-N-methylcarbamate is CN(C(=O)ON=S(=O)=O)C1CCCCC1.
What is the InChIKey of (sulfonylamino) N-cyclohexyl-N-methylcarbamate?
The InChIKey is PJKCWJYAALEXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-10(7-5-3-2-4-6-7)8(11)14-9-15(12)13/h7H,2-6H2,1H3.
What are the key properties of (sulfonylamino) N-cyclohexyl-N-methylcarbamate?
(sulfonylamino) N-cyclohexyl-N-methylcarbamate has a molecular weight of 234.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfonylamino) N-cyclohexyl-N-methylcarbamate is sourced from PubChem (CID 151465732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).