4-(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine

C15H25NO2S — CID 143453002

IUPAC4-(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine
SMILESCC(C)(C)C1C=CC(S(=O)(=O)C2CCNCC2)=CC1
InChIInChI=1S/C15H25NO2S/c1-15(2,3)12-4-6-13(7-5-12)19(17,18)14-8-10-16-11-9-14/h4,6-7,12,14,16H,5,8-11H2,1-3H3
InChIKeyYJCLTMUIMKSJRG-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.66
Rot. Bonds2

About 4-(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine

4-(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine (PubChem CID 143453002) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine
PubChem CID143453002
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine
SMILESCC(C)(C)C1C=CC(S(=O)(=O)C2CCNCC2)=CC1
InChIInChI=1S/C15H25NO2S/c1-15(2,3)12-4-6-13(7-5-12)19(17,18)14-8-10-16-11-9-14/h4,6-7,12,14,16H,5,8-11H2,1-3H3
InChIKeyYJCLTMUIMKSJRG-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoro-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine
CID 71131951
4-[(2-Fluoro-3-methylcyclohexa-1,5-dien-1-yl)methylsulfonyl]piperidine
CID 164089809
2,4,5,6-Tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide
CID 67590135
5-Methylsulfonyl-1,2,3,4,4a,8a-hexahydroquinoline
CID 71131093
4-Ethyl-4-[2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)sulfonylethyl]piperidine
CID 71132404
3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]sulfonylpiperidine
CID 118219094
N-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine
CID 123794773
1-[4-(1-ethylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine
CID 123881774
4-(3-Methylsulfonylcyclohexa-2,4-dien-1-yl)piperidine
CID 126494263
N-[[4-(2-methylpropylsulfonyl)cyclohexa-2,4-dien-1-yl]methyl]ethanamine
CID 126636715
1-(2-Methylsulfonylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine
CID 140249227
N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide
CID 143792094

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine?
The IUPAC name of 4-(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine (CID 143453002) is 4-(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine?
The canonical SMILES for 4-(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine is CC(C)(C)C1C=CC(S(=O)(=O)C2CCNCC2)=CC1.
What is the InChIKey of 4-(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine?
The InChIKey is YJCLTMUIMKSJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-15(2,3)12-4-6-13(7-5-12)19(17,18)14-8-10-16-11-9-14/h4,6-7,12,14,16H,5,8-11H2,1-3H3.
What are the key properties of 4-(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine?
4-(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine has a molecular weight of 283.44 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine is sourced from PubChem (CID 143453002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).