1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene

C12H21N3O2S — CID 54952240

IUPAC1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene
SMILESCCc1ccc(NS(=O)(=O)N(C)CCCN)cc1
InChIInChI=1S/C12H21N3O2S/c1-3-11-5-7-12(8-6-11)14-18(16,17)15(2)10-4-9-13/h5-8,14H,3-4,9-10,13H2,1-2H3
InChIKeyADVZFPUDPSHJAV-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.19
Rot. Bonds7

About 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene

1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene (PubChem CID 54952240) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene.

Molecular Properties

Compound Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene
PubChem CID54952240
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene
SMILESCCc1ccc(NS(=O)(=O)N(C)CCCN)cc1
InChIInChI=1S/C12H21N3O2S/c1-3-11-5-7-12(8-6-11)14-18(16,17)15(2)10-4-9-13/h5-8,14H,3-4,9-10,13H2,1-2H3
InChIKeyADVZFPUDPSHJAV-UHFFFAOYSA-N
XLogP1.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene
CID 106058979
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
CID 61456312
5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene
CID 106003745
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene
CID 106003250
N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide
CID 61456490
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene
CID 114141477
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene
CID 114261612
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine
CID 112739513
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-4-iodobenzene
CID 114261617
3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline
CID 62782128
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene
CID 106007389
3-[[3-aminopropyl(methyl)sulfamoyl]amino]pyridazine
CID 116786561

Frequently Asked Questions

What is the IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene?
The IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene (CID 54952240) is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene.
What is the SMILES notation for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene?
The canonical SMILES for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene is CCc1ccc(NS(=O)(=O)N(C)CCCN)cc1.
What is the InChIKey of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene?
The InChIKey is ADVZFPUDPSHJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-11-5-7-12(8-6-11)14-18(16,17)15(2)10-4-9-13/h5-8,14H,3-4,9-10,13H2,1-2H3.
What are the key properties of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene?
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene has a molecular weight of 271.39 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene is sourced from PubChem (CID 54952240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).