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

C11H23NO2S — CID 144801740

IUPACethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCC.CC1=CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C9H17NO2S.C2H6/c1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-2/h4,8H,5-7H2,1-3H3;1-2H3
InChIKeyUPSINBQDRYCXMM-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.40
Rot. Bonds2

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

ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 144801740) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
PubChem CID144801740
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Nameethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCC.CC1=CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C9H17NO2S.C2H6/c1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-2/h4,8H,5-7H2,1-3H3;1-2H3
InChIKeyUPSINBQDRYCXMM-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.40
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

2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanenitrile
CID 107857510
1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane
CID 144802262
4-(4-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 92580442
1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767029
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
ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 166546302
1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine
CID 114407682
ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 145380354
8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 58777927
3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114407765

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine (CID 144801740) is ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine is CC.CC1=CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is UPSINBQDRYCXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S.C2H6/c1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-2/h4,8H,5-7H2,1-3H3;1-2H3.
What are the key properties of ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 233.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 144801740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).