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

C17H25NS — CID 64647886

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C17H25NS/c1-18-16-8-3-2-4-9-17(16)19-15-11-10-13-6-5-7-14(13)12-15/h10-12,16-18H,2-9H2,1H3
InChIKeyDQTYJFCTDNVWCX-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.19
Rot. Bonds3

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

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine (PubChem CID 64647886) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine
PubChem CID64647886
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C17H25NS/c1-18-16-8-3-2-4-9-17(16)19-15-11-10-13-6-5-7-14(13)12-15/h10-12,16-18H,2-9H2,1H3
InChIKeyDQTYJFCTDNVWCX-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 64648465
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine
CID 64647878
2-(3,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64614934
N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 64648280
N-methyl-2-phenylsulfanylcyclododecan-1-amine
CID 64619988
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)-4-methylcyclohexan-1-amine
CID 64648277
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 64648078
2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine
CID 64620313
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexane-1-carboxylic acid
CID 63531678
2-(2,5-difluorophenyl)sulfanyl-N-methylcycloheptan-1-amine
CID 64649448
2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine
CID 64648291

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine (CID 64647886) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine is CNC1CCCCCC1Sc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine?
The InChIKey is DQTYJFCTDNVWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-18-16-8-3-2-4-9-17(16)19-15-11-10-13-6-5-7-14(13)12-15/h10-12,16-18H,2-9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 4.19, 3 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)-N-methylcycloheptan-1-amine is sourced from PubChem (CID 64647886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).