1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine

C11H18N2O2S — CID 64630354

IUPAC1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine
SMILESCC(CS(C)(=O)=O)NCCc1ccncc1
InChIInChI=1S/C11H18N2O2S/c1-10(9-16(2,14)15)13-8-5-11-3-6-12-7-4-11/h3-4,6-7,10,13H,5,8-9H2,1-2H3
InChIKeyGLNIFBLMEXMNKG-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.65
Rot. Bonds6

About 1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine

1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine (PubChem CID 64630354) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine
PubChem CID64630354
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine
SMILESCC(CS(C)(=O)=O)NCCc1ccncc1
InChIInChI=1S/C11H18N2O2S/c1-10(9-16(2,14)15)13-8-5-11-3-6-12-7-4-11/h3-4,6-7,10,13H,5,8-9H2,1-2H3
InChIKeyGLNIFBLMEXMNKG-UHFFFAOYSA-N
XLogP0.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 103522285
N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 79763044
N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 104629114
1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 102869089
N-(2-pyridin-4-ylethyl)butane-2-sulfonamide
CID 70596181
3-methyl-2-(2-pyridin-4-ylethylamino)butanoic acid
CID 60890928
2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid
CID 65289085
methyl 2-(2-pyridin-4-ylethylamino)propanoate
CID 61499767
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64629500
methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate
CID 126813614

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine?
The IUPAC name of 1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine (CID 64630354) is 1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine?
The canonical SMILES for 1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine is CC(CS(C)(=O)=O)NCCc1ccncc1.
What is the InChIKey of 1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine?
The InChIKey is GLNIFBLMEXMNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-10(9-16(2,14)15)13-8-5-11-3-6-12-7-4-11/h3-4,6-7,10,13H,5,8-9H2,1-2H3.
What are the key properties of 1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine?
1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine has a molecular weight of 242.34 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine is sourced from PubChem (CID 64630354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).