1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine

C12H20N2O2S — CID 163216363

IUPAC1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine
SMILESCC1(S(=O)(=O)N2CCC(N)CC2)C=CC=CC1
InChIInChI=1S/C12H20N2O2S/c1-12(7-3-2-4-8-12)17(15,16)14-9-5-11(13)6-10-14/h2-4,7,11H,5-6,8-10,13H2,1H3
InChIKeyQERRLJGDHSRBPB-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.01
Rot. Bonds2

About 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine

1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine (PubChem CID 163216363) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine
PubChem CID163216363
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine
SMILESCC1(S(=O)(=O)N2CCC(N)CC2)C=CC=CC1
InChIInChI=1S/C12H20N2O2S/c1-12(7-3-2-4-8-12)17(15,16)14-9-5-11(13)6-10-14/h2-4,7,11H,5-6,8-10,13H2,1H3
InChIKeyQERRLJGDHSRBPB-UHFFFAOYSA-N
XLogP1.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide
CID 170070186
1-Cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine
CID 71079553
1-(3,3-Dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine
CID 90983960
3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide
CID 91039693
1,2,3,4,4a,8a-Hexahydroquinoline-8-sulfonamide
CID 91450875
2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfonamide
CID 91481326
4-methyl-5-methylidene-N-piperidin-4-ylcyclohexa-1,3-diene-1-sulfonamide
CID 134446947
1-(1-Methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
CID 141194739
1-(3,3-Dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine;ethane
CID 143885490
3,3-dimethyl-N-piperidin-3-ylcyclohepta-1,4,6-triene-1-sulfonamide;ethane
CID 143885569
(3E)-2-methyl-N-piperidin-4-ylpenta-1,3-diene-3-sulfinamide
CID 143929667
4-methylidene-N-piperidin-4-ylcyclohexa-2,5-diene-1-sulfonamide
CID 144172249

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine (CID 163216363) is 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine is CC1(S(=O)(=O)N2CCC(N)CC2)C=CC=CC1.
What is the InChIKey of 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine?
The InChIKey is QERRLJGDHSRBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-12(7-3-2-4-8-12)17(15,16)14-9-5-11(13)6-10-14/h2-4,7,11H,5-6,8-10,13H2,1H3.
What are the key properties of 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine?
1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine has a molecular weight of 256.37 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 163216363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).