propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate

C12H19N3O4S — CID 114461545

IUPACpropan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC(C)c1cccc(N)c1
InChIInChI=1S/C12H19N3O4S/c1-8(2)19-12(16)15-20(17,18)14-9(3)10-5-4-6-11(13)7-10/h4-9,14H,13H2,1-3H3,(H,15,16)
InChIKeyKMARUDMVNAOEGS-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.30
Rot. Bonds5

About propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate

propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate (PubChem CID 114461545) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate
PubChem CID114461545
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Namepropan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC(C)c1cccc(N)c1
InChIInChI=1S/C12H19N3O4S/c1-8(2)19-12(16)15-20(17,18)14-9(3)10-5-4-6-11(13)7-10/h4-9,14H,13H2,1-3H3,(H,15,16)
InChIKeyKMARUDMVNAOEGS-UHFFFAOYSA-N
XLogP1.30
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[1-(3-aminophenyl)ethylsulfamoyl]acetate
CID 61359928
ethyl 2-[1-(3-aminophenyl)ethylsulfamoyl]acetate
CID 61456809
propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
CID 107863552
N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide
CID 43297985
1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene
CID 43297979
ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate
CID 114461541
propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate
CID 114461589
propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate
CID 114461500
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
N-[1-(3-aminophenyl)ethyl]-3,5-difluorobenzenesulfonamide
CID 43593641
methyl N-[1-(3-aminophenyl)ethyl-methylsulfamoyl]carbamate
CID 114461600
propan-2-yl N-(benzylsulfamoyl)carbamate
CID 117060358

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate (CID 114461545) is propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NC(C)c1cccc(N)c1.
What is the InChIKey of propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate?
The InChIKey is KMARUDMVNAOEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8(2)19-12(16)15-20(17,18)14-9(3)10-5-4-6-11(13)7-10/h4-9,14H,13H2,1-3H3,(H,15,16).
What are the key properties of propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate?
propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate has a molecular weight of 301.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate is sourced from PubChem (CID 114461545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).