1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine

C15H23NS — CID 64648658

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
SMILESCCCC(CSc1ccc2c(c1)CCC2)NC
InChIInChI=1S/C15H23NS/c1-3-5-14(16-2)11-17-15-9-8-12-6-4-7-13(12)10-15/h8-10,14,16H,3-7,11H2,1-2H3
InChIKeyOFADUKPLKYPGCV-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.66
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine

1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine (PubChem CID 64648658) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
PubChem CID64648658
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
SMILESCCCC(CSc1ccc2c(c1)CCC2)NC
InChIInChI=1S/C15H23NS/c1-3-5-14(16-2)11-17-15-9-8-12-6-4-7-13(12)10-15/h8-10,14,16H,3-7,11H2,1-2H3
InChIKeyOFADUKPLKYPGCV-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine
CID 64648659
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol
CID 64807080
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
1-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-2-amine
CID 62043866
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylpentan-1-amine
CID 43485099
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine
CID 104755464
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine
CID 106808314
N-methyl-2-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 82985313
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65128332
N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine
CID 55196306
ethyl 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanoate
CID 63034861

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine (CID 64648658) is 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine is CCCC(CSc1ccc2c(c1)CCC2)NC.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine?
The InChIKey is OFADUKPLKYPGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-5-14(16-2)11-17-15-9-8-12-6-4-7-13(12)10-15/h8-10,14,16H,3-7,11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine?
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine is sourced from PubChem (CID 64648658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).