methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate

C7H16N2O5S — CID 114464222

IUPACmethyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate
SMILESCCC(C)(CO)NS(=O)(=O)NC(=O)OC
InChIInChI=1S/C7H16N2O5S/c1-4-7(2,5-10)9-15(12,13)8-6(11)14-3/h9-10H,4-5H2,1-3H3,(H,8,11)
InChIKeyWUSCPMBRCIDKNS-UHFFFAOYSA-N
MW240.28 g/mol
LogP-0.66
Rot. Bonds5

About methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate

methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate (PubChem CID 114464222) has the molecular formula C7H16N2O5S and a molecular weight of 240.28 g/mol. Its IUPAC name is methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate
PubChem CID114464222
Molecular FormulaC7H16N2O5S
Molecular Weight240.28 g/mol
Exact Mass240.08
IUPAC Namemethyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate
SMILESCCC(C)(CO)NS(=O)(=O)NC(=O)OC
InChIInChI=1S/C7H16N2O5S/c1-4-7(2,5-10)9-15(12,13)8-6(11)14-3/h9-10H,4-5H2,1-3H3,(H,8,11)
InChIKeyWUSCPMBRCIDKNS-UHFFFAOYSA-N
XLogP-0.66
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate
CID 107866829
methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate
CID 114464184
N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide
CID 64555453
1-hydroxy-2-methyl-2-(sulfamoylamino)butane
CID 112696365
N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 64556421
methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate
CID 106290429
ethyl N-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]carbamate
CID 106253368
ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate
CID 64557036
N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 64557626
methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate
CID 155246171
methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate
CID 79397397
ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate
CID 106184660

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate (CID 114464222) is methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate is CCC(C)(CO)NS(=O)(=O)NC(=O)OC.
What is the InChIKey of methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate?
The InChIKey is WUSCPMBRCIDKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5S/c1-4-7(2,5-10)9-15(12,13)8-6(11)14-3/h9-10H,4-5H2,1-3H3,(H,8,11).
What are the key properties of methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate?
methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate has a molecular weight of 240.28 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate is sourced from PubChem (CID 114464222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).