propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate

C8H18N2O6S — CID 114464301

IUPACpropan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC(C)(O)CO
InChIInChI=1S/C8H18N2O6S/c1-6(2)16-7(12)10-17(14,15)9-4-8(3,13)5-11/h6,9,11,13H,4-5H2,1-3H3,(H,10,12)
InChIKeyDLLBLVPONVYZOB-UHFFFAOYSA-N
MW270.31 g/mol
LogP-1.30
Rot. Bonds6

About propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate

propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate (PubChem CID 114464301) has the molecular formula C8H18N2O6S and a molecular weight of 270.31 g/mol. Its IUPAC name is propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate
PubChem CID114464301
Molecular FormulaC8H18N2O6S
Molecular Weight270.31 g/mol
Exact Mass270.09
IUPAC Namepropan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC(C)(O)CO
InChIInChI=1S/C8H18N2O6S/c1-6(2)16-7(12)10-17(14,15)9-4-8(3,13)5-11/h6,9,11,13H,4-5H2,1-3H3,(H,10,12)
InChIKeyDLLBLVPONVYZOB-UHFFFAOYSA-N
XLogP-1.30
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate
CID 66170109
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534
propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate
CID 114467593
propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
CID 114466894
methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate
CID 106290429
propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate
CID 114461386
(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid
CID 107835199
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid
CID 114462094
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771
propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
CID 106288291
propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114464267

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate (CID 114464301) is propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NCC(C)(O)CO.
What is the InChIKey of propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate?
The InChIKey is DLLBLVPONVYZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O6S/c1-6(2)16-7(12)10-17(14,15)9-4-8(3,13)5-11/h6,9,11,13H,4-5H2,1-3H3,(H,10,12).
What are the key properties of propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate?
propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate has a molecular weight of 270.31 g/mol, XLogP of -1.30, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate is sourced from PubChem (CID 114464301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).