N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine

C13H20N2O2S2 — CID 106544504

IUPACN-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine
SMILESCSC1CCCC(Nc2ncccc2S(C)(=O)=O)C1
InChIInChI=1S/C13H20N2O2S2/c1-18-11-6-3-5-10(9-11)15-13-12(19(2,16)17)7-4-8-14-13/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,14,15)
InChIKeyGBTFNUAUIDXROG-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.57
Rot. Bonds4

About N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine

N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine (PubChem CID 106544504) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine
PubChem CID106544504
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC NameN-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine
SMILESCSC1CCCC(Nc2ncccc2S(C)(=O)=O)C1
InChIInChI=1S/C13H20N2O2S2/c1-18-11-6-3-5-10(9-11)15-13-12(19(2,16)17)7-4-8-14-13/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,14,15)
InChIKeyGBTFNUAUIDXROG-UHFFFAOYSA-N
XLogP2.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-Methyl-4H-pyrido(2,3-e)-1,2,4-thiadiazine 1,1-
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CID 3054012
6-(benzylamino)-N,N-diethyl-3-pyridinesulfonamide
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CID 1741689
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-pyridin-2-ylurea
CID 2831176
(E)-2-(benzenesulfonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile
CID 11414926
(6-Methyl-pyridin-2-yl)-(3-methylsulfanyl-pyridin-2-yl)-amine
CID 44404932
2-(benzenesulfonyl)-N-pyridin-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine (CID 106544504) is N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine is CSC1CCCC(Nc2ncccc2S(C)(=O)=O)C1.
What is the InChIKey of N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine?
The InChIKey is GBTFNUAUIDXROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-18-11-6-3-5-10(9-11)15-13-12(19(2,16)17)7-4-8-14-13/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,14,15).
What are the key properties of N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine?
N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine has a molecular weight of 300.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 106544504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).