1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine

C10H16N2O2S — CID 114984298

IUPAC1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
SMILESCc1cncc(C(N)CCS(C)(=O)=O)c1
InChIInChI=1S/C10H16N2O2S/c1-8-5-9(7-12-6-8)10(11)3-4-15(2,13)14/h5-7,10H,3-4,11H2,1-2H3
InChIKeyMLSUKFYKIIOBLH-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.82
Rot. Bonds4

About 1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine

1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine (PubChem CID 114984298) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
PubChem CID114984298
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
SMILESCc1cncc(C(N)CCS(C)(=O)=O)c1
InChIInChI=1S/C10H16N2O2S/c1-8-5-9(7-12-6-8)10(11)3-4-15(2,13)14/h5-7,10H,3-4,11H2,1-2H3
InChIKeyMLSUKFYKIIOBLH-UHFFFAOYSA-N
XLogP0.82
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 105082567
3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 62602759
1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 62608341
1-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105023199
1-(5-methyl-3-pyridinyl)dodecan-1-amine
CID 105022916
2-ethyl-1-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105022799
1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine
CID 105181558
1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine
CID 130060487
1-(5-methyl-3-pyridinyl)hex-5-yn-1-amine
CID 105179674
1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine
CID 105173870
2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 105023232
[1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine
CID 114984828

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine (CID 114984298) is 1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine is Cc1cncc(C(N)CCS(C)(=O)=O)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine?
The InChIKey is MLSUKFYKIIOBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8-5-9(7-12-6-8)10(11)3-4-15(2,13)14/h5-7,10H,3-4,11H2,1-2H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine?
1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine has a molecular weight of 228.32 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 114984298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).