1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine

C14H21NO2S — CID 64647030

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine
SMILESCCCC(N)CS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NO2S/c1-2-4-13(15)10-18(16,17)14-8-7-11-5-3-6-12(11)9-14/h7-9,13H,2-6,10,15H2,1H3
InChIKeyVPIIHHAIQZTAFC-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.08
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine (PubChem CID 64647030) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine
PubChem CID64647030
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine
SMILESCCCC(N)CS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NO2S/c1-2-4-13(15)10-18(16,17)14-8-7-11-5-3-6-12(11)9-14/h7-9,13H,2-6,10,15H2,1H3
InChIKeyVPIIHHAIQZTAFC-UHFFFAOYSA-N
XLogP2.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine
CID 64647431
6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 158665045
1-(4-nitrophenyl)sulfonylpentan-2-amine
CID 64645710
5-[2-(bromomethyl)-2-ethylbutyl]sulfonyl-2,3-dihydro-1H-indene
CID 64998596
2-amino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119270363
5-(3-bromo-2,2-dimethylpropyl)sulfonyl-2,3-dihydro-1H-indene
CID 65000038
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol
CID 116853101
N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine
CID 64647032
N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 61124769
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-pentylsulfonylpiperazine
CID 86937206

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine (CID 64647030) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine is CCCC(N)CS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine?
The InChIKey is VPIIHHAIQZTAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-4-13(15)10-18(16,17)14-8-7-11-5-3-6-12(11)9-14/h7-9,13H,2-6,10,15H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine is sourced from PubChem (CID 64647030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).