1-[(4-methylphenyl)sulfonylamino]propan-2-yl N-methylcarbamate

C12H18N2O4S — CID 2972427

IUPAC1-[(4-methylphenyl)sulfonylamino]propan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O4S/c1-9-4-6-11(7-5-9)19(16,17)14-8-10(2)18-12(15)13-3/h4-7,10,14H,8H2,1-3H3,(H,13,15)
InChIKeyNKVGEPYTMDYLRZ-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.02
Rot. Bonds5

About 1-[(4-methylphenyl)sulfonylamino]propan-2-yl N-methylcarbamate

1-[(4-methylphenyl)sulfonylamino]propan-2-yl N-methylcarbamate (PubChem CID 2972427) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[(4-methylphenyl)sulfonylamino]propan-2-yl N-methylcarbamate.

Molecular Properties

Compound Name1-[(4-methylphenyl)sulfonylamino]propan-2-yl N-methylcarbamate
PubChem CID2972427
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name1-[(4-methylphenyl)sulfonylamino]propan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O4S/c1-9-4-6-11(7-5-9)19(16,17)14-8-10(2)18-12(15)13-3/h4-7,10,14H,8H2,1-3H3,(H,13,15)
InChIKeyNKVGEPYTMDYLRZ-UHFFFAOYSA-N
XLogP1.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)sulfonylamino]propan-2-yl N-methylcarbamate?
The IUPAC name of 1-[(4-methylphenyl)sulfonylamino]propan-2-yl N-methylcarbamate (CID 2972427) is 1-[(4-methylphenyl)sulfonylamino]propan-2-yl N-methylcarbamate.
What is the SMILES notation for 1-[(4-methylphenyl)sulfonylamino]propan-2-yl N-methylcarbamate?
The canonical SMILES for 1-[(4-methylphenyl)sulfonylamino]propan-2-yl N-methylcarbamate is CNC(=O)OC(C)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-[(4-methylphenyl)sulfonylamino]propan-2-yl N-methylcarbamate?
The InChIKey is NKVGEPYTMDYLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9-4-6-11(7-5-9)19(16,17)14-8-10(2)18-12(15)13-3/h4-7,10,14H,8H2,1-3H3,(H,13,15).
What are the key properties of 1-[(4-methylphenyl)sulfonylamino]propan-2-yl N-methylcarbamate?
1-[(4-methylphenyl)sulfonylamino]propan-2-yl N-methylcarbamate has a molecular weight of 286.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)sulfonylamino]propan-2-yl N-methylcarbamate is sourced from PubChem (CID 2972427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).