ethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate

C10H22N2O5S — CID 106144041

IUPACethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCC(C)(C)CCCO
InChIInChI=1S/C10H22N2O5S/c1-4-17-9(14)12-18(15,16)11-8-10(2,3)6-5-7-13/h11,13H,4-8H2,1-3H3,(H,12,14)
InChIKeyPNAJYKVAMKWARY-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.37
Rot. Bonds8

About ethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate

ethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate (PubChem CID 106144041) has the molecular formula C10H22N2O5S and a molecular weight of 282.36 g/mol. Its IUPAC name is ethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate
PubChem CID106144041
Molecular FormulaC10H22N2O5S
Molecular Weight282.36 g/mol
Exact Mass282.12
IUPAC Nameethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCC(C)(C)CCCO
InChIInChI=1S/C10H22N2O5S/c1-4-17-9(14)12-18(15,16)11-8-10(2,3)6-5-7-13/h11,13H,4-8H2,1-3H3,(H,12,14)
InChIKeyPNAJYKVAMKWARY-UHFFFAOYSA-N
XLogP0.37
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[(4-chloro-2,2-dimethylbutyl)sulfamoyl]carbamate
CID 106146110
ethyl N-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]carbamate
CID 106253368
ethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate
CID 114463701
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate
CID 106184660
ethyl N-(2-chloroethylsulfamoyl)carbamate
CID 114464062
ethyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322727
ethyl N-(6-bromohexylsulfamoyl)carbamate
CID 107848893
ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate
CID 106286779
ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate
CID 114465211
N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113347924
ethyl N-[(4-amino-2-methylbutyl)sulfamoyl]carbamate
CID 114467054

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate (CID 106144041) is ethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NCC(C)(C)CCCO.
What is the InChIKey of ethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate?
The InChIKey is PNAJYKVAMKWARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O5S/c1-4-17-9(14)12-18(15,16)11-8-10(2,3)6-5-7-13/h11,13H,4-8H2,1-3H3,(H,12,14).
What are the key properties of ethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate?
ethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate has a molecular weight of 282.36 g/mol, XLogP of 0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate is sourced from PubChem (CID 106144041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).