methyl N-(cyclohexylsulfamoyl)-N-(C-methoxycarbonimidoyl)carbamate

C10H19N3O5S — CID 21269103

IUPACmethyl N-(cyclohexylsulfamoyl)-N-(C-methoxycarbonimidoyl)carbamate
SMILES[H]/N=C(\OC)N(C(=O)OC)S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C10H19N3O5S/c1-17-9(11)13(10(14)18-2)19(15,16)12-8-6-4-3-5-7-8/h8,11-12H,3-7H2,1-2H3/b11-9-
InChIKeyHIFLGJHIKBSHGF-LUAWRHEFSA-N
MW293.34 g/mol
LogP0.80
Rot. Bonds3

About methyl N-(cyclohexylsulfamoyl)-N-(C-methoxycarbonimidoyl)carbamate

methyl N-(cyclohexylsulfamoyl)-N-(C-methoxycarbonimidoyl)carbamate (PubChem CID 21269103) has the molecular formula C10H19N3O5S and a molecular weight of 293.34 g/mol. Its IUPAC name is methyl N-(cyclohexylsulfamoyl)-N-(C-methoxycarbonimidoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(cyclohexylsulfamoyl)-N-(C-methoxycarbonimidoyl)carbamate
PubChem CID21269103
Molecular FormulaC10H19N3O5S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC Namemethyl N-(cyclohexylsulfamoyl)-N-(C-methoxycarbonimidoyl)carbamate
SMILES[H]/N=C(\OC)N(C(=O)OC)S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C10H19N3O5S/c1-17-9(11)13(10(14)18-2)19(15,16)12-8-6-4-3-5-7-8/h8,11-12H,3-7H2,1-2H3/b11-9-
InChIKeyHIFLGJHIKBSHGF-LUAWRHEFSA-N
XLogP0.80
TPSA108.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(cyclohexylsulfamoyl)propanoate
CID 63362940
methyl N-(cyclohexylcarbamoyl)-N-(cyclohexylsulfanylcarbamoyl)carbamimidate
CID 21442244
3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide
CID 114813460
(diethylsulfamoylamino)cyclopentane
CID 60713674
N-cycloheptylmethanesulfonamide
CID 3113423
cyclononylsulfamic acid
CID 67135870
methyl 2-[cyclopropylsulfamoyl(ethyl)amino]acetate
CID 114383181
cycloheptylsulfamoyl carbamate
CID 87698075
methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515635
methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate
CID 103342256
[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane
CID 35326787
cyclohexylsulfamic acid;hydrochloride
CID 67875894

Frequently Asked Questions

What is the IUPAC name of methyl N-(cyclohexylsulfamoyl)-N-(C-methoxycarbonimidoyl)carbamate?
The IUPAC name of methyl N-(cyclohexylsulfamoyl)-N-(C-methoxycarbonimidoyl)carbamate (CID 21269103) is methyl N-(cyclohexylsulfamoyl)-N-(C-methoxycarbonimidoyl)carbamate.
What is the SMILES notation for methyl N-(cyclohexylsulfamoyl)-N-(C-methoxycarbonimidoyl)carbamate?
The canonical SMILES for methyl N-(cyclohexylsulfamoyl)-N-(C-methoxycarbonimidoyl)carbamate is [H]/N=C(\OC)N(C(=O)OC)S(=O)(=O)NC1CCCCC1.
What is the InChIKey of methyl N-(cyclohexylsulfamoyl)-N-(C-methoxycarbonimidoyl)carbamate?
The InChIKey is HIFLGJHIKBSHGF-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H19N3O5S/c1-17-9(11)13(10(14)18-2)19(15,16)12-8-6-4-3-5-7-8/h8,11-12H,3-7H2,1-2H3/b11-9-.
What are the key properties of methyl N-(cyclohexylsulfamoyl)-N-(C-methoxycarbonimidoyl)carbamate?
methyl N-(cyclohexylsulfamoyl)-N-(C-methoxycarbonimidoyl)carbamate has a molecular weight of 293.34 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(cyclohexylsulfamoyl)-N-(C-methoxycarbonimidoyl)carbamate is sourced from PubChem (CID 21269103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).