4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine

C11H20N2O2S — CID 114411279

IUPAC4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(S(=O)(=O)CC2CCCN2)CC1
InChIInChI=1S/C11H20N2O2S/c1-10-4-7-13(8-5-10)16(14,15)9-11-3-2-6-12-11/h4,11-12H,2-3,5-9H2,1H3
InChIKeyJVNJKMRVDSZPPW-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.72
Rot. Bonds3

About 4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine

4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine (PubChem CID 114411279) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine
PubChem CID114411279
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(S(=O)(=O)CC2CCCN2)CC1
InChIInChI=1S/C11H20N2O2S/c1-10-4-7-13(8-5-10)16(14,15)9-11-3-2-6-12-11/h4,11-12H,2-3,5-9H2,1H3
InChIKeyJVNJKMRVDSZPPW-UHFFFAOYSA-N
XLogP0.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 55151116
1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane
CID 144802262
1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 71263341
2-(pyrrolidin-2-ylmethylsulfonyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63154863
4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one
CID 54973565
1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine
CID 114537834
N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63540168
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117
3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 106587601
1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81198917
2-(piperidin-2-ylmethylsulfonyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63154862
ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 144801740

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine (CID 114411279) is 4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine is CC1=CCN(S(=O)(=O)CC2CCCN2)CC1.
What is the InChIKey of 4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine?
The InChIKey is JVNJKMRVDSZPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-10-4-7-13(8-5-10)16(14,15)9-11-3-2-6-12-11/h4,11-12H,2-3,5-9H2,1H3.
What are the key properties of 4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine?
4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine has a molecular weight of 244.36 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114411279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).