N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine

C11H18N2O2S — CID 115922122

IUPACN-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine
SMILESCCS(=O)(=O)CC(C)Nc1cccnc1C
InChIInChI=1S/C11H18N2O2S/c1-4-16(14,15)8-9(2)13-11-6-5-7-12-10(11)3/h5-7,9,13H,4,8H2,1-3H3
InChIKeyPOTDYLKCDZRVJN-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.63
Rot. Bonds5

About N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine

N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine (PubChem CID 115922122) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine
PubChem CID115922122
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine
SMILESCCS(=O)(=O)CC(C)Nc1cccnc1C
InChIInChI=1S/C11H18N2O2S/c1-4-16(14,15)8-9(2)13-11-6-5-7-12-10(11)3/h5-7,9,13H,4,8H2,1-3H3
InChIKeyPOTDYLKCDZRVJN-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Betahistine Mesilate
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Betahistine monomesilate
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N-[3-(cyclohexylamino)-4-pyridinyl]methanesulfonamide;hydrate;hydrochloride
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N-[3-(cycloheptylamino)-4-pyridinyl]methanesulfonamide;hydrochloride
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2-(phenylsulfonyl)-N-(3-pyridyl)acetamide
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CID 259626
2-(1,3-Thiazolidin-2-yl)pyridine
CID 120770
N-(pyridin-2-ylmethyl)methanesulfonamide
CID 4657001
Pyridin-2-ylmethanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine (CID 115922122) is N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine is CCS(=O)(=O)CC(C)Nc1cccnc1C.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine?
The InChIKey is POTDYLKCDZRVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-16(14,15)8-9(2)13-11-6-5-7-12-10(11)3/h5-7,9,13H,4,8H2,1-3H3.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine?
N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine has a molecular weight of 242.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine is sourced from PubChem (CID 115922122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).