N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline

C14H23N3O2S — CID 106911133

IUPACN-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline
SMILESCC(C)(C)NS(=O)(=O)Nc1ccc(CNC2CC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-14(2,3)17-20(18,19)16-13-6-4-11(5-7-13)10-15-12-8-9-12/h4-7,12,15-17H,8-10H2,1-3H3
InChIKeyOPQRKRJWIFLFBZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.98
Rot. Bonds6

About N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline

N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline (PubChem CID 106911133) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline.

Molecular Properties

Compound NameN-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline
PubChem CID106911133
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline
SMILESCC(C)(C)NS(=O)(=O)Nc1ccc(CNC2CC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-14(2,3)17-20(18,19)16-13-6-4-11(5-7-13)10-15-12-8-9-12/h4-7,12,15-17H,8-10H2,1-3H3
InChIKeyOPQRKRJWIFLFBZ-UHFFFAOYSA-N
XLogP1.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline?
The IUPAC name of N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline (CID 106911133) is N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline.
What is the SMILES notation for N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline?
The canonical SMILES for N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline is CC(C)(C)NS(=O)(=O)Nc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline?
The InChIKey is OPQRKRJWIFLFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-14(2,3)17-20(18,19)16-13-6-4-11(5-7-13)10-15-12-8-9-12/h4-7,12,15-17H,8-10H2,1-3H3.
What are the key properties of N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline?
N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline has a molecular weight of 297.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline is sourced from PubChem (CID 106911133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).