N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine

C12H20N2O2S — CID 43675220

IUPACN-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine
SMILESCCC(CC)CNc1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C12H20N2O2S/c1-4-10(5-2)8-13-11-6-7-12(14-9-11)17(3,15)16/h6-7,9-10,13H,4-5,8H2,1-3H3
InChIKeyCWORVOMPVVMWEP-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.33
Rot. Bonds6

About N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine

N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine (PubChem CID 43675220) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine.

Molecular Properties

Compound NameN-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine
PubChem CID43675220
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine
SMILESCCC(CC)CNc1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C12H20N2O2S/c1-4-10(5-2)8-13-11-6-7-12(14-9-11)17(3,15)16/h6-7,9-10,13H,4-5,8H2,1-3H3
InChIKeyCWORVOMPVVMWEP-UHFFFAOYSA-N
XLogP2.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-6-methylsulfonylpyridin-3-amine
CID 43675267
6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine
CID 43675312
N-(2-ethylbutyl)-6-methylpyridin-3-amine
CID 75355434
N-methyl-6-methylsulfonylpyridin-3-amine
CID 63091077
N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine
CID 43675328
2-methyl-3-[(6-methylsulfonyl-3-pyridinyl)amino]butan-2-ol
CID 65338019
6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine
CID 43675225
N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 55062602
N-[(3,5-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 60788811
N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 63668057
2-ethyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
CID 115251246
3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 47212321

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine?
The IUPAC name of N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine (CID 43675220) is N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine.
What is the SMILES notation for N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine?
The canonical SMILES for N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine is CCC(CC)CNc1ccc(S(C)(=O)=O)nc1.
What is the InChIKey of N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine?
The InChIKey is CWORVOMPVVMWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-10(5-2)8-13-11-6-7-12(14-9-11)17(3,15)16/h6-7,9-10,13H,4-5,8H2,1-3H3.
What are the key properties of N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine?
N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine has a molecular weight of 256.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine is sourced from PubChem (CID 43675220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).