1-cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine

C10H16N2O2S — CID 71079553

IUPAC1-cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)C2=CC=CC2)CC1
InChIInChI=1S/C10H16N2O2S/c11-9-5-7-12(8-6-9)15(13,14)10-3-1-2-4-10/h1-3,9H,4-8,11H2
InChIKeyIBXIJMQTDOMJMP-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.58
Rot. Bonds2

About 1-cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine

1-cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine (PubChem CID 71079553) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine
PubChem CID71079553
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)C2=CC=CC2)CC1
InChIInChI=1S/C10H16N2O2S/c11-9-5-7-12(8-6-9)15(13,14)10-3-1-2-4-10/h1-3,9H,4-8,11H2
InChIKeyIBXIJMQTDOMJMP-UHFFFAOYSA-N
XLogP0.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
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-(3,3-Dimethylcyclohepta-1,4,6-trien-1-yl)sulfonylpiperidin-3-amine;ethane
CID 143885490
(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
1-Piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152750203
1-(Cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine
CID 156776870
1-(1-Methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine
CID 163216363
4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-disulfonamide
CID 164863467
N-[(E)-pent-3-enyl]-1-piperidin-2-ylmethanesulfonamide
CID 116035915

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine?
The IUPAC name of 1-cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine (CID 71079553) is 1-cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine is NC1CCN(S(=O)(=O)C2=CC=CC2)CC1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine?
The InChIKey is IBXIJMQTDOMJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c11-9-5-7-12(8-6-9)15(13,14)10-3-1-2-4-10/h1-3,9H,4-8,11H2.
What are the key properties of 1-cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine?
1-cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine has a molecular weight of 228.32 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-ylsulfonylpiperidin-4-amine is sourced from PubChem (CID 71079553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).