2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine

C16H23NS — CID 64648277

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(Sc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C16H23NS/c1-11-5-8-15(17)16(9-11)18-14-7-6-12-3-2-4-13(12)10-14/h6-7,10-11,15-16H,2-5,8-9,17H2,1H3
InChIKeyAGJVQFOJPIXGKR-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.78
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine (PubChem CID 64648277) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine
PubChem CID64648277
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(Sc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C16H23NS/c1-11-5-8-15(17)16(9-11)18-14-7-6-12-3-2-4-13(12)10-14/h6-7,10-11,15-16H,2-5,8-9,17H2,1H3
InChIKeyAGJVQFOJPIXGKR-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexane-1-carboxylic acid
CID 63531678
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64647889
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine
CID 64647886
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 64648465
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine
CID 61398789
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine
CID 64647878
(4-methyl-2-phenylsulfanylcyclohexyl)methanamine
CID 43530146
[2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine
CID 43530476
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine
CID 62329474
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79841946
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 64648078
2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylcyclohexan-1-amine
CID 64630059

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine (CID 64648277) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine is CC1CCC(N)C(Sc2ccc3c(c2)CCC3)C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine?
The InChIKey is AGJVQFOJPIXGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-11-5-8-15(17)16(9-11)18-14-7-6-12-3-2-4-13(12)10-14/h6-7,10-11,15-16H,2-5,8-9,17H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 64648277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).