2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanesulfonamide

C12H25N3O2S — CID 43777353

IUPAC2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanesulfonamide
SMILESCC(C)=CCN1CCC(NCCS(N)(=O)=O)CC1
InChIInChI=1S/C12H25N3O2S/c1-11(2)3-7-15-8-4-12(5-9-15)14-6-10-18(13,16)17/h3,12,14H,4-10H2,1-2H3,(H2,13,16,17)
InChIKeyRIAXITOBUVEWCU-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.30
Rot. Bonds6

About 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanesulfonamide

2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanesulfonamide (PubChem CID 43777353) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanesulfonamide
PubChem CID43777353
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanesulfonamide
SMILESCC(C)=CCN1CCC(NCCS(N)(=O)=O)CC1
InChIInChI=1S/C12H25N3O2S/c1-11(2)3-7-15-8-4-12(5-9-15)14-6-10-18(13,16)17/h3,12,14H,4-10H2,1-2H3,(H2,13,16,17)
InChIKeyRIAXITOBUVEWCU-UHFFFAOYSA-N
XLogP0.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanesulfonamide (CID 43777353) is 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanesulfonamide is CC(C)=CCN1CCC(NCCS(N)(=O)=O)CC1.
What is the InChIKey of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanesulfonamide?
The InChIKey is RIAXITOBUVEWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-11(2)3-7-15-8-4-12(5-9-15)14-6-10-18(13,16)17/h3,12,14H,4-10H2,1-2H3,(H2,13,16,17).
What are the key properties of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanesulfonamide?
2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanesulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 43777353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).