N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine

C12H20N2O2S — CID 105034585

IUPACN,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
SMILESCNC(Cc1cccnc1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H20N2O2S/c1-12(2,17(4,15)16)11(13-3)8-10-6-5-7-14-9-10/h5-7,9,11,13H,8H2,1-4H3
InChIKeyNJKHEWTWIIBWQB-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.04
Rot. Bonds5

About N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine

N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine (PubChem CID 105034585) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
PubChem CID105034585
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
SMILESCNC(Cc1cccnc1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H20N2O2S/c1-12(2,17(4,15)16)11(13-3)8-10-6-5-7-14-9-10/h5-7,9,11,13H,8H2,1-4H3
InChIKeyNJKHEWTWIIBWQB-UHFFFAOYSA-N
XLogP1.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine
CID 104736266
N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
CID 62604364
1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol
CID 115832186
N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 115799186
N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine
CID 66468597
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289
1-pyridin-3-ylpropane-2-sulfonic acid
CID 162352665
1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 103759818
N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736482
1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 66468598
[1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333643

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine?
The IUPAC name of N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine (CID 105034585) is N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine?
The canonical SMILES for N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine is CNC(Cc1cccnc1)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine?
The InChIKey is NJKHEWTWIIBWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-12(2,17(4,15)16)11(13-3)8-10-6-5-7-14-9-10/h5-7,9,11,13H,8H2,1-4H3.
What are the key properties of N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine?
N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine has a molecular weight of 256.37 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105034585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).