1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane

C11H21NO2S — CID 144802262

IUPAC1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane
SMILESCC.CC1=CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C9H15NO2S.C2H6/c1-8-4-6-10(7-5-8)13(11,12)9-2-3-9;1-2/h4,9H,2-3,5-7H2,1H3;1-2H3
InChIKeyWYIZNOCFHNIXTM-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.16
Rot. Bonds2

About 1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane

1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane (PubChem CID 144802262) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane
PubChem CID144802262
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane
SMILESCC.CC1=CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C9H15NO2S.C2H6/c1-8-4-6-10(7-5-8)13(11,12)9-2-3-9;1-2/h4,9H,2-3,5-7H2,1H3;1-2H3
InChIKeyWYIZNOCFHNIXTM-UHFFFAOYSA-N
XLogP2.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 144801740
1-cyclopentylsulfonyl-4-iodo-3,6-dihydro-2H-pyridine
CID 138702107
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol
CID 114411516
1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 71263341
1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine
CID 114411245
4-methyl-1-(pyrrolidin-2-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine
CID 114411279
1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767029
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile
CID 107857510
3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114407765
N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine
CID 114414310
4-methyl-1-[3-(trifluoromethylsulfonyl)propylsulfonyl]-3,6-dihydro-2H-pyridine
CID 136559716
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767032

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane?
The IUPAC name of 1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane (CID 144802262) is 1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane?
The canonical SMILES for 1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane is CC.CC1=CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane?
The InChIKey is WYIZNOCFHNIXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S.C2H6/c1-8-4-6-10(7-5-8)13(11,12)9-2-3-9;1-2/h4,9H,2-3,5-7H2,1H3;1-2H3.
What are the key properties of 1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane?
1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane has a molecular weight of 231.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane is sourced from PubChem (CID 144802262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).