N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine

C16H19NO2S — CID 65046366

IUPACN-(2-methylsulfonylcyclopentyl)naphthalen-1-amine
SMILESCS(=O)(=O)C1CCCC1Nc1cccc2ccccc12
InChIInChI=1S/C16H19NO2S/c1-20(18,19)16-11-5-10-15(16)17-14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,15-17H,5,10-11H2,1H3
InChIKeyNKRORPVLHUQHBS-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.22
Rot. Bonds3

About N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine

N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine (PubChem CID 65046366) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylcyclopentyl)naphthalen-1-amine
PubChem CID65046366
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-(2-methylsulfonylcyclopentyl)naphthalen-1-amine
SMILESCS(=O)(=O)C1CCCC1Nc1cccc2ccccc12
InChIInChI=1S/C16H19NO2S/c1-20(18,19)16-11-5-10-15(16)17-14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,15-17H,5,10-11H2,1H3
InChIKeyNKRORPVLHUQHBS-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline
CID 103478396
2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
CID 79041776
2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
CID 65044228
N-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline
CID 65044226
methyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate
CID 65043932
2-(naphthalen-1-ylamino)cycloheptan-1-ol
CID 60897825
N-(2-propylcyclohexyl)naphthalen-1-amine
CID 154951720
2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine
CID 65046271
[3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol
CID 65044032
2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol
CID 65043853
2-bromo-5-methyl-N-(2-methylsulfonylcyclopentyl)aniline
CID 82761934
5-bromo-2-methyl-N-(2-methylsulfonylcyclopentyl)aniline
CID 65044140

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine?
The IUPAC name of N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine (CID 65046366) is N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine.
What is the SMILES notation for N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine?
The canonical SMILES for N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine is CS(=O)(=O)C1CCCC1Nc1cccc2ccccc12.
What is the InChIKey of N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine?
The InChIKey is NKRORPVLHUQHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-20(18,19)16-11-5-10-15(16)17-14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,15-17H,5,10-11H2,1H3.
What are the key properties of N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine?
N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine is sourced from PubChem (CID 65046366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).