2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol

C8H15NO3S — CID 114411516

IUPAC2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol
SMILESCC1=CCN(S(=O)(=O)CCO)CC1
InChIInChI=1S/C8H15NO3S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2,10H,3-7H2,1H3
InChIKeyHHVTUBGZZSNEQZ-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.04
Rot. Bonds3

About 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol

2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol (PubChem CID 114411516) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol.

Molecular Properties

Compound Name2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol
PubChem CID114411516
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol
SMILESCC1=CCN(S(=O)(=O)CCO)CC1
InChIInChI=1S/C8H15NO3S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2,10H,3-7H2,1H3
InChIKeyHHVTUBGZZSNEQZ-UHFFFAOYSA-N
XLogP-0.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.04
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-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 71263341
4-methyl-1-[3-(trifluoromethylsulfonyl)propylsulfonyl]-3,6-dihydro-2H-pyridine
CID 136559716
N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine
CID 114414310
1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane
CID 144802262
ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 144801740
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
[5-bromo-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methanol
CID 114413836
1-ethylsulfonyl-3-methyl-2,5-dihydropyrrole
CID 153379905
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile
CID 107857510
[3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1-benzothiophen-2-yl]methanol
CID 114413780

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol?
The IUPAC name of 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol (CID 114411516) is 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol.
What is the SMILES notation for 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol?
The canonical SMILES for 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol is CC1=CCN(S(=O)(=O)CCO)CC1.
What is the InChIKey of 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol?
The InChIKey is HHVTUBGZZSNEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2,10H,3-7H2,1H3.
What are the key properties of 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol?
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol has a molecular weight of 205.28 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol is sourced from PubChem (CID 114411516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).