1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine

C12H19NO2S — CID 141194739

IUPAC1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
SMILESCC1(S(=O)(=O)N2CCCCC2)C=CC=CC1
InChIInChI=1S/C12H19NO2S/c1-12(8-4-2-5-9-12)16(14,15)13-10-6-3-7-11-13/h2,4-5,8H,3,6-7,9-11H2,1H3
InChIKeyIZAJKEGDXJISLW-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.08
Rot. Bonds2

About 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine

1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine (PubChem CID 141194739) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
PubChem CID141194739
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
SMILESCC1(S(=O)(=O)N2CCCCC2)C=CC=CC1
InChIInChI=1S/C12H19NO2S/c1-12(8-4-2-5-9-12)16(14,15)13-10-6-3-7-11-13/h2,4-5,8H,3,6-7,9-11H2,1H3
InChIKeyIZAJKEGDXJISLW-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
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
N-but-3-enyl-N-butylcyclohexa-1,3-diene-1-sulfonamide
CID 68213066
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
Cyclohexene-1-sulfonate;1,1-dimethylpiperidin-1-ium
CID 88537122
Cyclohexene-1-sulfonate;1-ethyl-1-methylpiperidin-1-ium
CID 88537123
4-Cyclohexa-2,5-dien-1-yl-1-propylsulfonylpiperidine
CID 90750988
1-Cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine
CID 91085982
1-(4-Methylcyclohexa-2,5-dien-1-yl)sulfonylpiperidine
CID 91611076
1-(4-Ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine
CID 123402128
2-Methyl-3,4,8,8a-tetrahydro-1lambda6,2-benzothiazine 1,1-dioxide
CID 123697133

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine?
The IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine (CID 141194739) is 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine?
The canonical SMILES for 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine is CC1(S(=O)(=O)N2CCCCC2)C=CC=CC1.
What is the InChIKey of 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine?
The InChIKey is IZAJKEGDXJISLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(8-4-2-5-9-12)16(14,15)13-10-6-3-7-11-13/h2,4-5,8H,3,6-7,9-11H2,1H3.
What are the key properties of 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine?
1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine has a molecular weight of 241.36 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine is sourced from PubChem (CID 141194739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).