N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline

C15H23NO2S — CID 79860379

IUPACN-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline
SMILESCc1ccc(S(C)(=O)=O)cc1NC1CCCC1(C)C
InChIInChI=1S/C15H23NO2S/c1-11-7-8-12(19(4,17)18)10-13(11)16-14-6-5-9-15(14,2)3/h7-8,10,14,16H,5-6,9H2,1-4H3
InChIKeyQUADGELXGHIODR-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.39
Rot. Bonds3

About N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline

N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline (PubChem CID 79860379) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline
PubChem CID79860379
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline
SMILESCc1ccc(S(C)(=O)=O)cc1NC1CCCC1(C)C
InChIInChI=1S/C15H23NO2S/c1-11-7-8-12(19(4,17)18)10-13(11)16-14-6-5-9-15(14,2)3/h7-8,10,14,16H,5-6,9H2,1-4H3
InChIKeyQUADGELXGHIODR-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline
CID 79829574
3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide
CID 79860799
N-(2-methyl-5-methylsulfonylphenyl)oxan-4-amine
CID 43685079
N-(cyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
CID 43685183
N-(2-methyl-5-methylsulfonylphenyl)-1-oxothian-4-amine
CID 54981615
N-(2,2-dimethylcyclopentyl)-4-fluoro-2-methylaniline
CID 79864742
4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline
CID 79864654
N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline
CID 79860481
2-methyl-5-methylsulfonyl-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43685145
N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline
CID 106871684
N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
CID 43685167
N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline
CID 79829148

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline (CID 79860379) is N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline is Cc1ccc(S(C)(=O)=O)cc1NC1CCCC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline?
The InChIKey is QUADGELXGHIODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11-7-8-12(19(4,17)18)10-13(11)16-14-6-5-9-15(14,2)3/h7-8,10,14,16H,5-6,9H2,1-4H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline?
N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline has a molecular weight of 281.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline is sourced from PubChem (CID 79860379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).