3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine

C12H20N2O2S — CID 106731736

IUPAC3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H20N2O2S/c1-9-5-7-14-11(13)10(9)6-8-17(15,16)12(2,3)4/h5,7H,6,8H2,1-4H3,(H2,13,14)
InChIKeyVMIIYXKTMYVXSX-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.73
Rot. Bonds3

About 3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine

3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine (PubChem CID 106731736) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine
PubChem CID106731736
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H20N2O2S/c1-9-5-7-14-11(13)10(9)6-8-17(15,16)12(2,3)4/h5,7H,6,8H2,1-4H3,(H2,13,14)
InChIKeyVMIIYXKTMYVXSX-UHFFFAOYSA-N
XLogP1.73
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-4-methyl-3-pyridinyl)propanal
CID 64522521
3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine
CID 64505107
1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol
CID 64515592
1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one
CID 103446715
4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
CID 106458123
3-[3-(cyclopropylamino)propyl]-4-methylpyridin-2-amine
CID 64505159
2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine
CID 106728941
3-(3-bromo-2-methylpropyl)-4-methylpyridin-2-amine
CID 64671976
(1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine
CID 106724109
2-(2-tert-butylsulfonylethylsulfonyl)-6-methylaniline
CID 106735771
2,4-dimethyl-3-propylpyridine
CID 14197863
(Z)-3-(2-amino-4-methyl-3-pyridinyl)-2-methylprop-2-ene-1-sulfonamide
CID 142943354

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine (CID 106731736) is 3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine is Cc1ccnc(N)c1CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine?
The InChIKey is VMIIYXKTMYVXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9-5-7-14-11(13)10(9)6-8-17(15,16)12(2,3)4/h5,7H,6,8H2,1-4H3,(H2,13,14).
What are the key properties of 3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine?
3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine has a molecular weight of 256.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 106731736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).