3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline

C14H25N3O2S — CID 61455986

IUPAC3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline
SMILESCCCN(Cc1cccc(N)c1)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-9-17(20(18,19)16(4)12(2)3)11-13-7-6-8-14(15)10-13/h6-8,10,12H,5,9,11,15H2,1-4H3
InChIKeyMTXKUOIKLMJFAG-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.07
Rot. Bonds7

About 3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline

3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline (PubChem CID 61455986) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline.

Molecular Properties

Compound Name3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline
PubChem CID61455986
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline
SMILESCCCN(Cc1cccc(N)c1)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-9-17(20(18,19)16(4)12(2)3)11-13-7-6-8-14(15)10-13/h6-8,10,12H,5,9,11,15H2,1-4H3
InChIKeyMTXKUOIKLMJFAG-UHFFFAOYSA-N
XLogP2.07
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 43383975
N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide
CID 64988060
N-[(3-aminophenyl)methyl]-3-bromo-N-propylthiophene-2-sulfonamide
CID 61457749
N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 43460249
3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine
CID 54947671
3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide
CID 62325163
3-[[propan-2-yl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline
CID 106725918
3-[[2-methylpentyl(propyl)amino]methyl]aniline
CID 62265016
N-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide
CID 55233408
N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967
1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene
CID 114804340
2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide
CID 43459791

Frequently Asked Questions

What is the IUPAC name of 3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline?
The IUPAC name of 3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline (CID 61455986) is 3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline.
What is the SMILES notation for 3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline?
The canonical SMILES for 3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline is CCCN(Cc1cccc(N)c1)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of 3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline?
The InChIKey is MTXKUOIKLMJFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-9-17(20(18,19)16(4)12(2)3)11-13-7-6-8-14(15)10-13/h6-8,10,12H,5,9,11,15H2,1-4H3.
What are the key properties of 3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline?
3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline has a molecular weight of 299.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline is sourced from PubChem (CID 61455986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).