1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate

C11H16N2O4S — CID 110192023

IUPAC1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)OC(C)CN)cc1
InChIInChI=1S/C11H16N2O4S/c1-8-3-5-10(6-4-8)18(15,16)13-11(14)17-9(2)7-12/h3-6,9H,7,12H2,1-2H3,(H,13,14)
InChIKeyZLGAFQJNXJYCQZ-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.76
Rot. Bonds4

About 1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate

1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 110192023) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Name1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate
PubChem CID110192023
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)OC(C)CN)cc1
InChIInChI=1S/C11H16N2O4S/c1-8-3-5-10(6-4-8)18(15,16)13-11(14)17-9(2)7-12/h3-6,9H,7,12H2,1-2H3,(H,13,14)
InChIKeyZLGAFQJNXJYCQZ-UHFFFAOYSA-N
XLogP0.76
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

sulfamoyl N-(4-methylphenyl)sulfonylcarbamate
CID 10017321
[2-[(4-methylphenyl)sulfonylcarbamoylamino]-1-phenylethyl] N-(4-methylphenyl)sulfonylcarbamate
CID 2813116
butan-2-yl N-(4-nitrophenyl)sulfonylcarbamate
CID 20976288
2,2,4,4,5-pentamethylhexyl N-(4-methylphenyl)sulfonylcarbamate
CID 169235724
(4-methylphenyl)sulfonylurea;urea
CID 160676948
2-cyanoethyl N-(4-methylphenyl)sulfonylcarbamate
CID 101122672
ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
CID 95561819
5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate
CID 102001467
triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium
CID 134977826
2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide
CID 72628786
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
CID 102353447

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of 1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate (CID 110192023) is 1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for 1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for 1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate is Cc1ccc(S(=O)(=O)NC(=O)OC(C)CN)cc1.
What is the InChIKey of 1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is ZLGAFQJNXJYCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8-3-5-10(6-4-8)18(15,16)13-11(14)17-9(2)7-12/h3-6,9H,7,12H2,1-2H3,(H,13,14).
What are the key properties of 1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate?
1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 272.33 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 110192023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).