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

C7H16N2O5S — CID 114464122

IUPACpropan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N(C)CCO
InChIInChI=1S/C7H16N2O5S/c1-6(2)14-7(11)8-15(12,13)9(3)4-5-10/h6,10H,4-5H2,1-3H3,(H,8,11)
InChIKeyCWLCYRBMPXSQMR-UHFFFAOYSA-N
MW240.28 g/mol
LogP-0.71
Rot. Bonds5

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

propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate (PubChem CID 114464122) has the molecular formula C7H16N2O5S and a molecular weight of 240.28 g/mol. Its IUPAC name is propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
PubChem CID114464122
Molecular FormulaC7H16N2O5S
Molecular Weight240.28 g/mol
Exact Mass240.08
IUPAC Namepropan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N(C)CCO
InChIInChI=1S/C7H16N2O5S/c1-6(2)14-7(11)8-15(12,13)9(3)4-5-10/h6,10H,4-5H2,1-3H3,(H,8,11)
InChIKeyCWLCYRBMPXSQMR-UHFFFAOYSA-N
XLogP-0.71
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate
CID 114466545
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476
methyl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464124
propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate
CID 114464359
propan-2-yl N-[cyclobutyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 102867663
propan-2-yl N-[cyclopentyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 114464161
3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462208
2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462664
propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate
CID 114466588
propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate
CID 114463424
propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate
CID 107493090
propan-2-yl N-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]carbamate
CID 106610356

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate (CID 114464122) is propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)N(C)CCO.
What is the InChIKey of propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate?
The InChIKey is CWLCYRBMPXSQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5S/c1-6(2)14-7(11)8-15(12,13)9(3)4-5-10/h6,10H,4-5H2,1-3H3,(H,8,11).
What are the key properties of propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate?
propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate has a molecular weight of 240.28 g/mol, XLogP of -0.71, 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-[2-hydroxyethyl(methyl)sulfamoyl]carbamate is sourced from PubChem (CID 114464122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).