5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine

C9H18N2O2S — CID 79993272

IUPAC5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine
SMILESC=CCS(=O)(=O)N1CC(C)CC(N)C1
InChIInChI=1S/C9H18N2O2S/c1-3-4-14(12,13)11-6-8(2)5-9(10)7-11/h3,8-9H,1,4-7,10H2,2H3
InChIKeyQBZDCCLHEWTIAL-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.17
Rot. Bonds3

About 5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine

5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine (PubChem CID 79993272) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine
PubChem CID79993272
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine
SMILESC=CCS(=O)(=O)N1CC(C)CC(N)C1
InChIInChI=1S/C9H18N2O2S/c1-3-4-14(12,13)11-6-8(2)5-9(10)7-11/h3,8-9H,1,4-7,10H2,2H3
InChIKeyQBZDCCLHEWTIAL-UHFFFAOYSA-N
XLogP0.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine?
The IUPAC name of 5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine (CID 79993272) is 5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine.
What is the SMILES notation for 5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine?
The canonical SMILES for 5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine is C=CCS(=O)(=O)N1CC(C)CC(N)C1.
What is the InChIKey of 5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine?
The InChIKey is QBZDCCLHEWTIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-3-4-14(12,13)11-6-8(2)5-9(10)7-11/h3,8-9H,1,4-7,10H2,2H3.
What are the key properties of 5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine?
5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine has a molecular weight of 218.32 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine is sourced from PubChem (CID 79993272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).