1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine

C10H19NO2S — CID 71263341

IUPAC1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESCCCCS(=O)(=O)N1CC=C(C)CC1
InChIInChI=1S/C10H19NO2S/c1-3-4-9-14(12,13)11-7-5-10(2)6-8-11/h5H,3-4,6-9H2,1-2H3
InChIKeyMAPHRCUTEYWQGS-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.77
Rot. Bonds4

About 1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine

1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 71263341) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID71263341
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESCCCCS(=O)(=O)N1CC=C(C)CC1
InChIInChI=1S/C10H19NO2S/c1-3-4-9-14(12,13)11-7-5-10(2)6-8-11/h5H,3-4,6-9H2,1-2H3
InChIKeyMAPHRCUTEYWQGS-UHFFFAOYSA-N
XLogP1.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.77
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

N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine
CID 114414310
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol
CID 114411516
4-methyl-1-[3-(trifluoromethylsulfonyl)propylsulfonyl]-3,6-dihydro-2H-pyridine
CID 136559716
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-ethylsulfonyl-3-methyl-2,5-dihydropyrrole
CID 153379905
1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine
CID 110819058
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-butylsulfonylpiperazine
CID 16769079
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767029

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine (CID 71263341) is 1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine is CCCCS(=O)(=O)N1CC=C(C)CC1.
What is the InChIKey of 1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is MAPHRCUTEYWQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-4-9-14(12,13)11-7-5-10(2)6-8-11/h5H,3-4,6-9H2,1-2H3.
What are the key properties of 1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 217.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 71263341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).