propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate

C8H18N2O5S — CID 114464359

IUPACpropan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N(C)C(C)CO
InChIInChI=1S/C8H18N2O5S/c1-6(2)15-8(12)9-16(13,14)10(4)7(3)5-11/h6-7,11H,5H2,1-4H3,(H,9,12)
InChIKeyKCPNAGGVSTZILV-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.32
Rot. Bonds5

About propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate

propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate (PubChem CID 114464359) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate
PubChem CID114464359
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Namepropan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N(C)C(C)CO
InChIInChI=1S/C8H18N2O5S/c1-6(2)15-8(12)9-16(13,14)10(4)7(3)5-11/h6-7,11H,5H2,1-4H3,(H,9,12)
InChIKeyKCPNAGGVSTZILV-UHFFFAOYSA-N
XLogP-0.32
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate
CID 114463424
propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464122
propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate
CID 114466545
2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462664
3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462208
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476
propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate
CID 114466588
propan-2-yl N-[cyclobutyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 102867663
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
propan-2-yl N-[cyclopentyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 114464161
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121
N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide
CID 127001380

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate (CID 114464359) is propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)N(C)C(C)CO.
What is the InChIKey of propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate?
The InChIKey is KCPNAGGVSTZILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-6(2)15-8(12)9-16(13,14)10(4)7(3)5-11/h6-7,11H,5H2,1-4H3,(H,9,12).
What are the key properties of propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate?
propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate has a molecular weight of 254.31 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate is sourced from PubChem (CID 114464359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).