methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate

C8H18N2O5S — CID 106290429

IUPACmethyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate
SMILESCCCC(C)(O)CNS(=O)(=O)NC(=O)OC
InChIInChI=1S/C8H18N2O5S/c1-4-5-8(2,12)6-9-16(13,14)10-7(11)15-3/h9,12H,4-6H2,1-3H3,(H,10,11)
InChIKeyQXQDMANFYCKVKC-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.27
Rot. Bonds6

About methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate

methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate (PubChem CID 106290429) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate
PubChem CID106290429
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Namemethyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate
SMILESCCCC(C)(O)CNS(=O)(=O)NC(=O)OC
InChIInChI=1S/C8H18N2O5S/c1-4-5-8(2,12)6-9-16(13,14)10-7(11)15-3/h9,12H,4-6H2,1-3H3,(H,10,11)
InChIKeyQXQDMANFYCKVKC-UHFFFAOYSA-N
XLogP-0.27
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-(methylsulfamoylamino)pentan-2-ol
CID 106290478
methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate
CID 155246171
propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate
CID 114464301
methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate
CID 114464222
N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide
CID 103835338
tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate
CID 155097174
ethyl N-[(4-chloro-2,2-dimethylbutyl)sulfamoyl]carbamate
CID 106146110
methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate
CID 114464184
methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate
CID 107866829
ethyl N-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]carbamate
CID 106144041
methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
CID 114463719
3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide
CID 106295329

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate (CID 106290429) is methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate is CCCC(C)(O)CNS(=O)(=O)NC(=O)OC.
What is the InChIKey of methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate?
The InChIKey is QXQDMANFYCKVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-4-5-8(2,12)6-9-16(13,14)10-7(11)15-3/h9,12H,4-6H2,1-3H3,(H,10,11).
What are the key properties of methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate?
methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate has a molecular weight of 254.31 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate is sourced from PubChem (CID 106290429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).