6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine

C16H25NO2S — CID 64647032

IUPAC6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine
SMILESCNC(C)CCCCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO2S/c1-13(17-2)6-3-4-11-20(18,19)16-10-9-14-7-5-8-15(14)12-16/h9-10,12-13,17H,3-8,11H2,1-2H3
InChIKeyPSQPFIRXCCHODR-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.73
Rot. Bonds7

About 6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine

6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine (PubChem CID 64647032) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine
PubChem CID64647032
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine
SMILESCNC(C)CCCCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO2S/c1-13(17-2)6-3-4-11-20(18,19)16-10-9-14-7-5-8-15(14)12-16/h9-10,12-13,17H,3-8,11H2,1-2H3
InChIKeyPSQPFIRXCCHODR-UHFFFAOYSA-N
XLogP2.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide
CID 120826990
N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine
CID 64675701
5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene
CID 62229484
6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 158665045
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)hexan-2-one
CID 64641999
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one
CID 64642185
N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 120507153
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine
CID 64647431
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
5-(3-azidopropylsulfonyl)-2,3-dihydro-1H-indene
CID 61397011
N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 83179764
(2S)-2-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoylamino]hexanoic acid
CID 120614683

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine (CID 64647032) is 6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine is CNC(C)CCCCS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine?
The InChIKey is PSQPFIRXCCHODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-13(17-2)6-3-4-11-20(18,19)16-10-9-14-7-5-8-15(14)12-16/h9-10,12-13,17H,3-8,11H2,1-2H3.
What are the key properties of 6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine?
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine has a molecular weight of 295.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine is sourced from PubChem (CID 64647032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).