2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine

C12H20N2O2S — CID 66447009

IUPAC2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine
SMILESCC(c1ccccn1)C(N)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H20N2O2S/c1-9(10-7-5-6-8-14-10)11(13)12(2,3)17(4,15)16/h5-9,11H,13H2,1-4H3
InChIKeyZMUKMOLVANLYIY-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.34
Rot. Bonds4

About 2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine

2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine (PubChem CID 66447009) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine
PubChem CID66447009
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine
SMILESCC(c1ccccn1)C(N)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H20N2O2S/c1-9(10-7-5-6-8-14-10)11(13)12(2,3)17(4,15)16/h5-9,11H,13H2,1-4H3
InChIKeyZMUKMOLVANLYIY-UHFFFAOYSA-N
XLogP1.34
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-3-pyridin-2-ylbutan-2-amine
CID 66448366
2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine
CID 66453564
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
5,5-dimethyl-2-pyridin-2-ylhexan-3-amine
CID 66448754
2-(3-chloro-4-methylsulfonylpentan-2-yl)pyridine
CID 104522952
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
(1R)-1-pyridin-2-ylethanesulfonamide
CID 94347246
3-pyridin-2-ylbutane-1,2-diamine
CID 67591241
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
[(1S)-1-pyridin-2-ylethyl] methanesulfonate
CID 11790238
methylsulfonyl 2-amino-2-pyridin-2-ylacetate
CID 174813905
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine?
The IUPAC name of 2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine (CID 66447009) is 2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine?
The canonical SMILES for 2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine is CC(c1ccccn1)C(N)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine?
The InChIKey is ZMUKMOLVANLYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(10-7-5-6-8-14-10)11(13)12(2,3)17(4,15)16/h5-9,11H,13H2,1-4H3.
What are the key properties of 2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine?
2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine has a molecular weight of 256.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine is sourced from PubChem (CID 66447009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).