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

C13H20N2O2S — CID 79741972

IUPAC1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC(CS(C)(=O)=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C13H20N2O2S/c1-9(8-18(2,16)17)15-13-6-3-10-7-11(14)4-5-12(10)13/h4-5,7,9,13,15H,3,6,8,14H2,1-2H3
InChIKeyYQENPVJKQUCMJH-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.28
Rot. Bonds4

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

1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79741972) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79741972
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC(CS(C)(=O)=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C13H20N2O2S/c1-9(8-18(2,16)17)15-13-6-3-10-7-11(14)4-5-12(10)13/h4-5,7,9,13,15H,3,6,8,14H2,1-2H3
InChIKeyYQENPVJKQUCMJH-UHFFFAOYSA-N
XLogP1.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115889805
1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine
CID 79725171
1-N-(1-methoxypropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79735935
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 107886838
1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 81351089
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol
CID 106348823
1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 114811154
1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79724744
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
CID 113492094
1-N-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79736960
5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene
CID 79723506

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79741972) is 1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine is CC(CS(C)(=O)=O)NC1CCc2cc(N)ccc21.
What is the InChIKey of 1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is YQENPVJKQUCMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(8-18(2,16)17)15-13-6-3-10-7-11(14)4-5-12(10)13/h4-5,7,9,13,15H,3,6,8,14H2,1-2H3.
What are the key properties of 1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 268.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79741972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).