propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate

C12H19N3O5S — CID 114461589

IUPACpropan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC(O)c1ccc(N)cc1
InChIInChI=1S/C12H19N3O5S/c1-8(2)20-12(17)15-21(18,19)14-7-11(16)9-3-5-10(13)6-4-9/h3-6,8,11,14,16H,7,13H2,1-2H3,(H,15,17)
InChIKeyXFMYXLIPRKOITH-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.27
Rot. Bonds6

About propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate

propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate (PubChem CID 114461589) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate
PubChem CID114461589
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC Namepropan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC(O)c1ccc(N)cc1
InChIInChI=1S/C12H19N3O5S/c1-8(2)20-12(17)15-21(18,19)14-7-11(16)9-3-5-10(13)6-4-9/h3-6,8,11,14,16H,7,13H2,1-2H3,(H,15,17)
InChIKeyXFMYXLIPRKOITH-UHFFFAOYSA-N
XLogP0.27
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]propanoate
CID 61458401
ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate
CID 114464098
N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide
CID 43461540
propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
CID 106288291
propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate
CID 114461386
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534
propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate
CID 114461545
propan-2-yl N-(benzylsulfamoyl)carbamate
CID 117060358
propan-2-yl N-[(4-aminophenyl)-methylsulfamoyl]carbamate
CID 114461530
ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate
CID 114461541
propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate
CID 114461500
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate (CID 114461589) is propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NCC(O)c1ccc(N)cc1.
What is the InChIKey of propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate?
The InChIKey is XFMYXLIPRKOITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S/c1-8(2)20-12(17)15-21(18,19)14-7-11(16)9-3-5-10(13)6-4-9/h3-6,8,11,14,16H,7,13H2,1-2H3,(H,15,17).
What are the key properties of propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate?
propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate has a molecular weight of 317.37 g/mol, XLogP of 0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate is sourced from PubChem (CID 114461589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).