2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine

C10H16N2O2S — CID 81202392

IUPAC2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine
SMILESCC(CN)CS(=O)(=O)Cc1ccncc1
InChIInChI=1S/C10H16N2O2S/c1-9(6-11)7-15(13,14)8-10-2-4-12-5-3-10/h2-5,9H,6-8,11H2,1H3
InChIKeyQIAVZWNTWWRQJE-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.59
Rot. Bonds5

About 2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine

2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine (PubChem CID 81202392) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine
PubChem CID81202392
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine
SMILESCC(CN)CS(=O)(=O)Cc1ccncc1
InChIInChI=1S/C10H16N2O2S/c1-9(6-11)7-15(13,14)8-10-2-4-12-5-3-10/h2-5,9H,6-8,11H2,1H3
InChIKeyQIAVZWNTWWRQJE-UHFFFAOYSA-N
XLogP0.59
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-tert-butylphenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81198026
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(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
3-[(3,4-dimethylphenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81197359
CID 59070107
CID 59070107
3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol
CID 81196409
2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine
CID 81202080
3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202387
[4-(2-methylbutylsulfonylmethyl)phenyl]methanamine
CID 107767146
2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine
CID 112645685
3-ethylsulfonyl-2-methylpropan-1-amine
CID 64698202
(2R)-2-acetamido-3-(pyridin-4-ylmethylsulfonyl)propanoic acid
CID 107775072

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine (CID 81202392) is 2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine is CC(CN)CS(=O)(=O)Cc1ccncc1.
What is the InChIKey of 2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine?
The InChIKey is QIAVZWNTWWRQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-9(6-11)7-15(13,14)8-10-2-4-12-5-3-10/h2-5,9H,6-8,11H2,1H3.
What are the key properties of 2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine?
2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine has a molecular weight of 228.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine is sourced from PubChem (CID 81202392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).