1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene

C11H19N3O2S — CID 61323721

IUPAC1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
SMILESCC(C)(C)CNc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C11H19N3O2S/c1-11(2,3)8-13-9-5-4-6-10(7-9)14-17(12,15)16/h4-7,13-14H,8H2,1-3H3,(H2,12,15,16)
InChIKeyCLTIOFZOYCJHHH-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.76
Rot. Bonds4

About 1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene

1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene (PubChem CID 61323721) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
PubChem CID61323721
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
SMILESCC(C)(C)CNc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C11H19N3O2S/c1-11(2,3)8-13-9-5-4-6-10(7-9)14-17(12,15)16/h4-7,13-14H,8H2,1-3H3,(H2,12,15,16)
InChIKeyCLTIOFZOYCJHHH-UHFFFAOYSA-N
XLogP1.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropylamino)benzenesulfonamide;methane
CID 159144655
1-(pentylamino)-3-(sulfamoylamino)benzene
CID 43741926
1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane)
CID 16685522
1-bromo-3-(sulfamoylamino)benzene
CID 24707479
1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole
CID 62133510
1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene
CID 62069827
tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate
CID 103821849
1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene
CID 43742023
1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene
CID 43741934
1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine
CID 62657531
3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide
CID 61250335
1-fluoro-3-(sulfamoylamino)benzene
CID 112573204

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene?
The IUPAC name of 1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene (CID 61323721) is 1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene.
What is the SMILES notation for 1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene?
The canonical SMILES for 1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene is CC(C)(C)CNc1cccc(NS(N)(=O)=O)c1.
What is the InChIKey of 1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene?
The InChIKey is CLTIOFZOYCJHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(2,3)8-13-9-5-4-6-10(7-9)14-17(12,15)16/h4-7,13-14H,8H2,1-3H3,(H2,12,15,16).
What are the key properties of 1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene?
1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene has a molecular weight of 257.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene is sourced from PubChem (CID 61323721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).