1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine

C11H18N2O2S — CID 115626100

IUPAC1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
SMILESCCS(=O)(=O)CC(C)NCc1ccccn1
InChIInChI=1S/C11H18N2O2S/c1-3-16(14,15)9-10(2)13-8-11-6-4-5-7-12-11/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyPMLTZLDZBIUMPF-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.99
Rot. Bonds6

About 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine

1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine (PubChem CID 115626100) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
PubChem CID115626100
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
SMILESCCS(=O)(=O)CC(C)NCc1ccccn1
InChIInChI=1S/C11H18N2O2S/c1-3-16(14,15)9-10(2)13-8-11-6-4-5-7-12-11/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyPMLTZLDZBIUMPF-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43085262
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CID 97240294
(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 28618020
3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 43201494
1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 103109745
2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 75443632
N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 71931375
methyl (3S)-3-(pyridin-2-ylmethylamino)butanoate
CID 93105864
N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide
CID 43112506
N-(pyridin-2-ylmethyl)hex-5-en-2-amine
CID 75525482
1-(1-methylcyclopropyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43363176

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine (CID 115626100) is 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine is CCS(=O)(=O)CC(C)NCc1ccccn1.
What is the InChIKey of 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine?
The InChIKey is PMLTZLDZBIUMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-16(14,15)9-10(2)13-8-11-6-4-5-7-12-11/h4-7,10,13H,3,8-9H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine?
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine has a molecular weight of 242.34 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 115626100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).