1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine

C12H19NO2S — CID 91085982

IUPAC1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)C2=CC=CCC2)CC1
InChIInChI=1S/C12H19NO2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-3,5,11H,4,6-10H2,1H3
InChIKeyUGCPOFGOXHQFGZ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.28
Rot. Bonds2

About 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine

1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine (PubChem CID 91085982) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine
PubChem CID91085982
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)C2=CC=CCC2)CC1
InChIInChI=1S/C12H19NO2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-3,5,11H,4,6-10H2,1H3
InChIKeyUGCPOFGOXHQFGZ-UHFFFAOYSA-N
XLogP2.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylidene-1-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]sulfonylpiperidine
CID 70307102
1-(4-Fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
CID 166062852
2-(Iodomethyl)-3,4,4a,8a-tetrahydro-1lambda6,2-benzothiazine 1,1-dioxide
CID 68324170
1-(4-Butylcyclohexa-1,3-dien-1-yl)sulfonyl-4-methylidenepiperidine
CID 70307954
2-(2-Methylpropyl)-3,4,4a,8a-tetrahydro-1lambda4,2-benzothiazine 1-oxide
CID 70336666
4-Cyclohexa-2,5-dien-1-yl-1-propylsulfonylpiperidine
CID 90750988
1-(4-Methylcyclohexa-2,5-dien-1-yl)sulfonylpiperidine
CID 91611076
1-(4-Ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine
CID 123402128
4-Ethenyl-1-ethylsulfonylpiperidine
CID 131105985
4-Methyl-1-(1-methylpiperidin-4-yl)cyclohexa-2,4-diene-1-sulfonic acid
CID 135350364
N,N-dibutyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide
CID 140368080
1-(1-Methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
CID 141194739

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine (CID 91085982) is 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine is CC1CCN(S(=O)(=O)C2=CC=CCC2)CC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine?
The InChIKey is UGCPOFGOXHQFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-3,5,11H,4,6-10H2,1H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine?
1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine has a molecular weight of 241.36 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine is sourced from PubChem (CID 91085982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).