ethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate

C10H20N2O5S — CID 102635643

IUPACethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(C)C1CCCCC1O
InChIInChI=1S/C10H20N2O5S/c1-3-17-10(14)11-18(15,16)12(2)8-6-4-5-7-9(8)13/h8-9,13H,3-7H2,1-2H3,(H,11,14)
InChIKeyJJGKEMHJWBGGAN-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.21
Rot. Bonds4

About ethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate

ethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate (PubChem CID 102635643) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is ethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate
PubChem CID102635643
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Nameethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(C)C1CCCCC1O
InChIInChI=1S/C10H20N2O5S/c1-3-17-10(14)11-18(15,16)12(2)8-6-4-5-7-9(8)13/h8-9,13H,3-7H2,1-2H3,(H,11,14)
InChIKeyJJGKEMHJWBGGAN-UHFFFAOYSA-N
XLogP0.21
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[(2-bromocyclohexyl)-methylsulfamoyl]carbamate
CID 102638603
ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate
CID 114466202
ethyl N-[2-bromoethyl(cyclobutyl)sulfamoyl]carbamate
CID 102873518
ethyl N-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylsulfamoyl]carbamate
CID 114461320
ethyl N-[ethyl(piperidin-2-ylmethyl)sulfamoyl]carbamate
CID 106630320
ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate
CID 114464074
3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid
CID 114462274
N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 115577152
ethyl N-[(1-amino-2-methylpropan-2-yl)-methylsulfamoyl]carbamate
CID 114461340
2-(ethylamino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102631990
ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate
CID 114464308
ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate
CID 114465230

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate (CID 102635643) is ethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)N(C)C1CCCCC1O.
What is the InChIKey of ethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate?
The InChIKey is JJGKEMHJWBGGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-3-17-10(14)11-18(15,16)12(2)8-6-4-5-7-9(8)13/h8-9,13H,3-7H2,1-2H3,(H,11,14).
What are the key properties of ethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate?
ethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate has a molecular weight of 280.35 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-hydroxycyclohexyl)-methylsulfamoyl]carbamate is sourced from PubChem (CID 102635643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).