2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene

C14H25N3O2S — CID 61456274

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene
SMILESCc1cccc(C(C)C)c1NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C14H25N3O2S/c1-11(2)13-8-5-7-12(3)14(13)16-20(18,19)17(4)10-6-9-15/h5,7-8,11,16H,6,9-10,15H2,1-4H3
InChIKeyXTVZXMFCHNIOKP-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.06
Rot. Bonds7

About 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene (PubChem CID 61456274) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene
PubChem CID61456274
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene
SMILESCc1cccc(C(C)C)c1NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C14H25N3O2S/c1-11(2)13-8-5-7-12(3)14(13)16-20(18,19)17(4)10-6-9-15/h5,7-8,11,16H,6,9-10,15H2,1-4H3
InChIKeyXTVZXMFCHNIOKP-UHFFFAOYSA-N
XLogP2.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene
CID 114141477
1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene
CID 54952251
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene
CID 106083766
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene
CID 114261612
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 2804542
5-amino-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pentanamide
CID 112517030
3-[[3-aminopropyl(methyl)sulfamoyl]amino]pyridazine
CID 116786561
1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106070684
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30464682
N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide
CID 61456490
1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea
CID 10578886
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene
CID 106057875

Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene (CID 61456274) is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene is Cc1cccc(C(C)C)c1NS(=O)(=O)N(C)CCCN.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene?
The InChIKey is XTVZXMFCHNIOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11(2)13-8-5-7-12(3)14(13)16-20(18,19)17(4)10-6-9-15/h5,7-8,11,16H,6,9-10,15H2,1-4H3.
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene?
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene has a molecular weight of 299.44 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene is sourced from PubChem (CID 61456274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).