1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

C12H21N3O2S — CID 54947673

IUPAC1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCC(N)c1cccc(NS(=O)(=O)N(C)C(C)C)c1
InChIInChI=1S/C12H21N3O2S/c1-9(2)15(4)18(16,17)14-12-7-5-6-11(8-12)10(3)13/h5-10,14H,13H2,1-4H3
InChIKeyARIATOPDCSLAES-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.70
Rot. Bonds5

About 1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (PubChem CID 54947673) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.

Molecular Properties

Compound Name1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
PubChem CID54947673
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCC(N)c1cccc(NS(=O)(=O)N(C)C(C)C)c1
InChIInChI=1S/C12H21N3O2S/c1-9(2)15(4)18(16,17)14-12-7-5-6-11(8-12)10(3)13/h5-10,14H,13H2,1-4H3
InChIKeyARIATOPDCSLAES-UHFFFAOYSA-N
XLogP1.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938
1-ethynyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947305
1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947831
N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide
CID 16794346
N-[3-(1-aminoethyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 43167031
2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947619
1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene
CID 66658186
1-[[methyl(propan-2-yl)sulfamoyl]amino]-3-prop-2-ynoxybenzene
CID 71864814
N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide
CID 59506232
1-(2-aminopropyl)-3-(dimethylsulfamoylamino)benzene
CID 21327409
N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide
CID 61454557
[1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 61453712

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The IUPAC name of 1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (CID 54947673) is 1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.
What is the SMILES notation for 1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The canonical SMILES for 1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is CC(N)c1cccc(NS(=O)(=O)N(C)C(C)C)c1.
What is the InChIKey of 1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The InChIKey is ARIATOPDCSLAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(2)15(4)18(16,17)14-12-7-5-6-11(8-12)10(3)13/h5-10,14H,13H2,1-4H3.
What are the key properties of 1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene has a molecular weight of 271.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is sourced from PubChem (CID 54947673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).