2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine

C19H25N3O3S — CID 122257613

IUPAC2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)cc1
InChIInChI=1S/C19H25N3O3S/c1-19(2,3)15-7-9-17(10-8-15)26(23,24)22-13-4-6-16(14-22)25-18-20-11-5-12-21-18/h5,7-12,16H,4,6,13-14H2,1-3H3
InChIKeyRCCRVYGPNRQOBO-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.01
Rot. Bonds4

About 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine

2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine (PubChem CID 122257613) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
PubChem CID122257613
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)cc1
InChIInChI=1S/C19H25N3O3S/c1-19(2,3)15-7-9-17(10-8-15)26(23,24)22-13-4-6-16(14-22)25-18-20-11-5-12-21-18/h5,7-12,16H,4,6,13-14H2,1-3H3
InChIKeyRCCRVYGPNRQOBO-UHFFFAOYSA-N
XLogP3.01
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole
CID 122257661
4-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine
CID 122260605
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018010
4-(3-pyridin-2-yloxypiperidin-1-yl)sulfonylaniline
CID 89245431
2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261630
5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259645
4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261625
5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018022
N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide
CID 122267799
2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122257583
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874
4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261682

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The IUPAC name of 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine (CID 122257613) is 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The canonical SMILES for 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine is CC(C)(C)c1ccc(S(=O)(=O)N2CCCC(Oc3ncccn3)C2)cc1.
What is the InChIKey of 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The InChIKey is RCCRVYGPNRQOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-19(2,3)15-7-9-17(10-8-15)26(23,24)22-13-4-6-16(14-22)25-18-20-11-5-12-21-18/h5,7-12,16H,4,6,13-14H2,1-3H3.
What are the key properties of 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine has a molecular weight of 375.49 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 122257613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).