ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate

C11H22N2O5S — CID 114464188

IUPACethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C11H22N2O5S/c1-3-18-10(15)12-19(16,17)13-11(8-14)6-4-9(2)5-7-11/h9,13-14H,3-8H2,1-2H3,(H,12,15)
InChIKeyIDDUAGQEAWXBKD-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.51
Rot. Bonds5

About ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate

ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate (PubChem CID 114464188) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
PubChem CID114464188
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Nameethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C11H22N2O5S/c1-3-18-10(15)12-19(16,17)13-11(8-14)6-4-9(2)5-7-11/h9,13-14H,3-8H2,1-2H3,(H,12,15)
InChIKeyIDDUAGQEAWXBKD-UHFFFAOYSA-N
XLogP0.51
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 104929320
2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid
CID 114462754
N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide
CID 62526005
ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate
CID 114466410
methyl N-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]carbamate
CID 114464182
1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide
CID 64987572
N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide
CID 62526694
N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
CID 62526516
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290378
ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate
CID 104929323
ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate
CID 65233937
2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 79813853

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate?
The IUPAC name of ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate (CID 114464188) is ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NC1(CO)CCC(C)CC1.
What is the InChIKey of ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate?
The InChIKey is IDDUAGQEAWXBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-3-18-10(15)12-19(16,17)13-11(8-14)6-4-9(2)5-7-11/h9,13-14H,3-8H2,1-2H3,(H,12,15).
What are the key properties of ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate?
ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate has a molecular weight of 294.37 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate is sourced from PubChem (CID 114464188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).