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

C9H17N3O4S — CID 114463424

IUPACpropan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N(C)C(C)CC#N
InChIInChI=1S/C9H17N3O4S/c1-7(2)16-9(13)11-17(14,15)12(4)8(3)5-6-10/h7-8H,5H2,1-4H3,(H,11,13)
InChIKeyIGGQZLAEXDAJMJ-UHFFFAOYSA-N
MW263.32 g/mol
LogP0.60
Rot. Bonds5

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

propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate (PubChem CID 114463424) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate
PubChem CID114463424
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC Namepropan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N(C)C(C)CC#N
InChIInChI=1S/C9H17N3O4S/c1-7(2)16-9(13)11-17(14,15)12(4)8(3)5-6-10/h7-8H,5H2,1-4H3,(H,11,13)
InChIKeyIGGQZLAEXDAJMJ-UHFFFAOYSA-N
XLogP0.60
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate
CID 114464359
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-(butan-2-ylsulfamoyl)carbamate
CID 114463084
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121
propan-2-yl N-[(4-aminophenyl)-methylsulfamoyl]carbamate
CID 114461530
propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate
CID 114467537
4-[[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]-5-phenylpentanoic acid
CID 122070983

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate (CID 114463424) is propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)N(C)C(C)CC#N.
What is the InChIKey of propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate?
The InChIKey is IGGQZLAEXDAJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c1-7(2)16-9(13)11-17(14,15)12(4)8(3)5-6-10/h7-8H,5H2,1-4H3,(H,11,13).
What are the key properties of propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate?
propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate has a molecular weight of 263.32 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate is sourced from PubChem (CID 114463424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).