2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine

C18H30N2O3S — CID 133359969

IUPAC2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine
SMILESCC(C)COC1CCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)CC1
InChIInChI=1S/C18H30N2O3S/c1-14(2)13-23-16-8-10-20(11-9-16)15-6-7-17(19-12-15)24(21,22)18(3,4)5/h6-7,12,14,16H,8-11,13H2,1-5H3
InChIKeyPIJFTYWUZJAUMK-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.30
Rot. Bonds5

About 2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine

2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine (PubChem CID 133359969) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine
PubChem CID133359969
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine
SMILESCC(C)COC1CCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)CC1
InChIInChI=1S/C18H30N2O3S/c1-14(2)13-23-16-8-10-20(11-9-16)15-6-7-17(19-12-15)24(21,22)18(3,4)5/h6-7,12,14,16H,8-11,13H2,1-5H3
InChIKeyPIJFTYWUZJAUMK-UHFFFAOYSA-N
XLogP3.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine
CID 133453237
[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 133360026
1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylsulfanylazepane
CID 102560377
N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360362
N-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide
CID 133373930
1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol
CID 133410682
4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine
CID 133360459
5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 75379504
[(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 96534194
6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine
CID 133486919
3-(2-methylpropoxy)-1-(3-methylsulfonyl-4-nitrophenyl)pyrrolidine
CID 133412591
4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449768

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine?
The IUPAC name of 2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine (CID 133359969) is 2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine.
What is the SMILES notation for 2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine?
The canonical SMILES for 2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine is CC(C)COC1CCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)CC1.
What is the InChIKey of 2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine?
The InChIKey is PIJFTYWUZJAUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-14(2)13-23-16-8-10-20(11-9-16)15-6-7-17(19-12-15)24(21,22)18(3,4)5/h6-7,12,14,16H,8-11,13H2,1-5H3.
What are the key properties of 2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine?
2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine has a molecular weight of 354.52 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine is sourced from PubChem (CID 133359969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).