N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine

C11H18N2O2S — CID 62603574

IUPACN-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine
SMILESCNC(CCS(C)(=O)=O)c1ncccc1C
InChIInChI=1S/C11H18N2O2S/c1-9-5-4-7-13-11(9)10(12-2)6-8-16(3,14)15/h4-5,7,10,12H,6,8H2,1-3H3
InChIKeyZYGLISZQKXIFFL-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.09
Rot. Bonds5

About N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine

N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine (PubChem CID 62603574) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine
PubChem CID62603574
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine
SMILESCNC(CCS(C)(=O)=O)c1ncccc1C
InChIInChI=1S/C11H18N2O2S/c1-9-5-4-7-13-11(9)10(12-2)6-8-16(3,14)15/h4-5,7,10,12H,6,8H2,1-3H3
InChIKeyZYGLISZQKXIFFL-UHFFFAOYSA-N
XLogP1.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-N-methyl-1-(3-methyl-2-pyridinyl)butan-1-amine
CID 65095905
N-methyl-1-(3-methyl-2-pyridinyl)pentan-1-amine
CID 62604870
1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 103444154
1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine
CID 63192413
N-methyl-1-(3-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 55236710
1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848387
(3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine
CID 114984570
N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984281
N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine
CID 62312186
1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 82730810
N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide
CID 131895144
1-(3-bromo-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 114982999

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine (CID 62603574) is N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine is CNC(CCS(C)(=O)=O)c1ncccc1C.
What is the InChIKey of N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine?
The InChIKey is ZYGLISZQKXIFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9-5-4-7-13-11(9)10(12-2)6-8-16(3,14)15/h4-5,7,10,12H,6,8H2,1-3H3.
What are the key properties of N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine?
N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine has a molecular weight of 242.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 62603574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).