1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine

C11H17N3O2S — CID 114811154

IUPAC1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCCNS(=O)(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C11H17N3O2S/c1-2-13-17(15,16)14-11-6-3-8-7-9(12)4-5-10(8)11/h4-5,7,11,13-14H,2-3,6,12H2,1H3
InChIKeyKEUNZHXBLJOZCX-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.70
Rot. Bonds4

About 1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 114811154) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID114811154
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCCNS(=O)(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C11H17N3O2S/c1-2-13-17(15,16)14-11-6-3-8-7-9(12)4-5-10(8)11/h4-5,7,11,13-14H,2-3,6,12H2,1H3
InChIKeyKEUNZHXBLJOZCX-UHFFFAOYSA-N
XLogP0.70
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene
CID 79723506
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide
CID 79723350
1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741972
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide
CID 79723505
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
CID 79723808
1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724206
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 79723355
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide
CID 79723067
N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide
CID 130920984
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 120722001
methyl 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]acetate
CID 116650191

Frequently Asked Questions

What is the IUPAC name of 1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 114811154) is 1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine is CCNS(=O)(=O)NC1CCc2cc(N)ccc21.
What is the InChIKey of 1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is KEUNZHXBLJOZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-13-17(15,16)14-11-6-3-8-7-9(12)4-5-10(8)11/h4-5,7,11,13-14H,2-3,6,12H2,1H3.
What are the key properties of 1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 255.34 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 114811154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).