5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine

C9H17NO2S — CID 106316957

IUPAC5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C9H17NO2S/c1-8(2)13(11,12)10-6-4-5-9(3)7-10/h5,8H,4,6-7H2,1-3H3
InChIKeyDUTWEJUNPSTRNH-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.38
Rot. Bonds2

About 5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine

5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 106316957) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
PubChem CID106316957
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C9H17NO2S/c1-8(2)13(11,12)10-6-4-5-9(3)7-10/h5,8H,4,6-7H2,1-3H3
InChIKeyDUTWEJUNPSTRNH-UHFFFAOYSA-N
XLogP1.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine (CID 106316957) is 5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine is CC1=CCCN(S(=O)(=O)C(C)C)C1.
What is the InChIKey of 5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is DUTWEJUNPSTRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-8(2)13(11,12)10-6-4-5-9(3)7-10/h5,8H,4,6-7H2,1-3H3.
What are the key properties of 5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 203.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 106316957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).