3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine

C11H18N2O2S — CID 63190850

IUPAC3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine
SMILESCS(=O)(=O)CCCNCCc1cccnc1
InChIInChI=1S/C11H18N2O2S/c1-16(14,15)9-3-7-12-8-5-11-4-2-6-13-10-11/h2,4,6,10,12H,3,5,7-9H2,1H3
InChIKeyKPZOSJLMSKXIFE-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.65
Rot. Bonds7

About 3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine

3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine (PubChem CID 63190850) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine
PubChem CID63190850
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine
SMILESCS(=O)(=O)CCCNCCc1cccnc1
InChIInChI=1S/C11H18N2O2S/c1-16(14,15)9-3-7-12-8-5-11-4-2-6-13-10-11/h2,4,6,10,12H,3,5,7-9H2,1H3
InChIKeyKPZOSJLMSKXIFE-UHFFFAOYSA-N
XLogP0.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961065
3-(propylamino)-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 106030719
4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine
CID 114472077
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide
CID 110661317
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine
CID 113410445

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine?
The IUPAC name of 3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine (CID 63190850) is 3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine?
The canonical SMILES for 3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine is CS(=O)(=O)CCCNCCc1cccnc1.
What is the InChIKey of 3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine?
The InChIKey is KPZOSJLMSKXIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-16(14,15)9-3-7-12-8-5-11-4-2-6-13-10-11/h2,4,6,10,12H,3,5,7-9H2,1H3.
What are the key properties of 3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine?
3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine has a molecular weight of 242.34 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine is sourced from PubChem (CID 63190850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).