N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine

C14H22N2O2S — CID 114598974

IUPACN-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine
SMILESCC1(C)CCCCC1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C14H22N2O2S/c1-14(2)9-5-4-8-12(14)16-13-11(19(3,17)18)7-6-10-15-13/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyCUZPSCLQYWVSKK-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.87
Rot. Bonds3

About N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine

N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine (PubChem CID 114598974) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine
PubChem CID114598974
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine
SMILESCC1(C)CCCCC1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C14H22N2O2S/c1-14(2)9-5-4-8-12(14)16-13-11(19(3,17)18)7-6-10-15-13/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyCUZPSCLQYWVSKK-UHFFFAOYSA-N
XLogP2.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2-dimethylcyclohexyl)amino]pyridine-3-carbothioamide
CID 79877924
3-N-(2,2-dimethylcyclohexyl)pyrazine-2,3-diamine
CID 103753764
3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine
CID 104540565
N-(2,2-dimethylcyclopentyl)-3-methylpyrazin-2-amine
CID 83064774
3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide
CID 79836934
N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine
CID 114598897
N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine
CID 114598944
1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 114598246
N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine
CID 106544504
[1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol
CID 114598842
2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
CID 79870620
N-(2,2-dimethylcyclohexyl)-2-(ethylamino)pyridine-3-carboxamide
CID 79872423

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine (CID 114598974) is N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine is CC1(C)CCCCC1Nc1ncccc1S(C)(=O)=O.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine?
The InChIKey is CUZPSCLQYWVSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(2)9-5-4-8-12(14)16-13-11(19(3,17)18)7-6-10-15-13/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine?
N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine has a molecular weight of 282.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 114598974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).