[2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene

C15H27N3O2S — CID 110284657

IUPAC[2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene
SMILESCC(CN(Cc1ccccc1)C(C)C)NS(=O)(=O)N(C)C
InChIInChI=1S/C15H27N3O2S/c1-13(2)18(12-15-9-7-6-8-10-15)11-14(3)16-21(19,20)17(4)5/h6-10,13-14,16H,11-12H2,1-5H3
InChIKeyFGCXZDFYFIRKHQ-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.68
Rot. Bonds8

About [2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene

[2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene (PubChem CID 110284657) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is [2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene.

Molecular Properties

Compound Name[2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene
PubChem CID110284657
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name[2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene
SMILESCC(CN(Cc1ccccc1)C(C)C)NS(=O)(=O)N(C)C
InChIInChI=1S/C15H27N3O2S/c1-13(2)18(12-15-9-7-6-8-10-15)11-14(3)16-21(19,20)17(4)5/h6-10,13-14,16H,11-12H2,1-5H3
InChIKeyFGCXZDFYFIRKHQ-UHFFFAOYSA-N
XLogP1.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide
CID 110284620
N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-(dimethylamino)-2-phenylacetamide
CID 110624517
N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine
CID 66222971
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 58405259
[2-(dimethylsulfamoylamino)-2-phenylethyl]benzene
CID 42955151
N-benzyl-N-methyl-3-methylsulfonylbutan-2-amine
CID 56789869
(2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine
CID 130522033
[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 79256333
3-[benzyl(propan-2-yl)amino]-2-methylpropanethioamide
CID 43367666
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine
CID 130758158

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene?
The IUPAC name of [2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene (CID 110284657) is [2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene.
What is the SMILES notation for [2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene?
The canonical SMILES for [2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene is CC(CN(Cc1ccccc1)C(C)C)NS(=O)(=O)N(C)C.
What is the InChIKey of [2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene?
The InChIKey is FGCXZDFYFIRKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-13(2)18(12-15-9-7-6-8-10-15)11-14(3)16-21(19,20)17(4)5/h6-10,13-14,16H,11-12H2,1-5H3.
What are the key properties of [2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene?
[2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene has a molecular weight of 313.47 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene is sourced from PubChem (CID 110284657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).