5-(3-tert-butylpiperidin-1-yl)sulfonyl-2-methoxypyridine

C15H24N2O3S — CID 59292445

IUPAC5-(3-tert-butylpiperidin-1-yl)sulfonyl-2-methoxypyridine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(C)(C)C)C2)cn1
InChIInChI=1S/C15H24N2O3S/c1-15(2,3)12-6-5-9-17(11-12)21(18,19)13-7-8-14(20-4)16-10-13/h7-8,10,12H,5-6,9,11H2,1-4H3
InChIKeyACZDXBFCDCFWAD-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.54
Rot. Bonds3

About 5-(3-tert-butylpiperidin-1-yl)sulfonyl-2-methoxypyridine

5-(3-tert-butylpiperidin-1-yl)sulfonyl-2-methoxypyridine (PubChem CID 59292445) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-(3-tert-butylpiperidin-1-yl)sulfonyl-2-methoxypyridine.

Molecular Properties

Compound Name5-(3-tert-butylpiperidin-1-yl)sulfonyl-2-methoxypyridine
PubChem CID59292445
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name5-(3-tert-butylpiperidin-1-yl)sulfonyl-2-methoxypyridine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(C)(C)C)C2)cn1
InChIInChI=1S/C15H24N2O3S/c1-15(2,3)12-6-5-9-17(11-12)21(18,19)13-7-8-14(20-4)16-10-13/h7-8,10,12H,5-6,9,11H2,1-4H3
InChIKeyACZDXBFCDCFWAD-UHFFFAOYSA-N
XLogP2.54
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
CID 139597581
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
Methyl 4-{[4-(3-pyridinylmethyl)-1-piperazinyl]sulfonyl}phenyl ether
CID 828758
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
1-(6-Methoxypyridin-3-yl)sulfonyl-4-methylpiperazine
CID 2991320
N,N-diethyl-6-methoxy-3-pyridinesulfonamide
CID 829840
4-methoxy-N-{[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl}benzenesulfonamide
CID 16189549
N,N-dibenzyl-2-methoxypyridine-3-sulfonamide
CID 162647773
4-methoxy-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]benzenesulfonohydrazide
CID 25237443
6-isopropoxy-N,N-diisopropyl-3-pyridinesulfonamide
CID 829835
N,N-diethyl-6-isopropoxy-3-pyridinesulfonamide
CID 829842
4-[1-(4-Ethoxybenzenesulfonyl)piperidin-4-YL]pyridine
CID 16033054

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylpiperidin-1-yl)sulfonyl-2-methoxypyridine?
The IUPAC name of 5-(3-tert-butylpiperidin-1-yl)sulfonyl-2-methoxypyridine (CID 59292445) is 5-(3-tert-butylpiperidin-1-yl)sulfonyl-2-methoxypyridine.
What is the SMILES notation for 5-(3-tert-butylpiperidin-1-yl)sulfonyl-2-methoxypyridine?
The canonical SMILES for 5-(3-tert-butylpiperidin-1-yl)sulfonyl-2-methoxypyridine is COc1ccc(S(=O)(=O)N2CCCC(C(C)(C)C)C2)cn1.
What is the InChIKey of 5-(3-tert-butylpiperidin-1-yl)sulfonyl-2-methoxypyridine?
The InChIKey is ACZDXBFCDCFWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-15(2,3)12-6-5-9-17(11-12)21(18,19)13-7-8-14(20-4)16-10-13/h7-8,10,12H,5-6,9,11H2,1-4H3.
What are the key properties of 5-(3-tert-butylpiperidin-1-yl)sulfonyl-2-methoxypyridine?
5-(3-tert-butylpiperidin-1-yl)sulfonyl-2-methoxypyridine has a molecular weight of 312.44 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylpiperidin-1-yl)sulfonyl-2-methoxypyridine is sourced from PubChem (CID 59292445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).