(1-prop-2-enylsulfonylpiperidin-2-yl)methanamine

C9H18N2O2S — CID 79673103

IUPAC(1-prop-2-enylsulfonylpiperidin-2-yl)methanamine
SMILESC=CCS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C9H18N2O2S/c1-2-7-14(12,13)11-6-4-3-5-9(11)8-10/h2,9H,1,3-8,10H2
InChIKeyVGIQUPCPIVDZTA-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.32
Rot. Bonds4

About (1-prop-2-enylsulfonylpiperidin-2-yl)methanamine

(1-prop-2-enylsulfonylpiperidin-2-yl)methanamine (PubChem CID 79673103) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is (1-prop-2-enylsulfonylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-prop-2-enylsulfonylpiperidin-2-yl)methanamine
PubChem CID79673103
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name(1-prop-2-enylsulfonylpiperidin-2-yl)methanamine
SMILESC=CCS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C9H18N2O2S/c1-2-7-14(12,13)11-6-4-3-5-9(11)8-10/h2,9H,1,3-8,10H2
InChIKeyVGIQUPCPIVDZTA-UHFFFAOYSA-N
XLogP0.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.32
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 (1-prop-2-enylsulfonylpiperidin-2-yl)methanamine?
The IUPAC name of (1-prop-2-enylsulfonylpiperidin-2-yl)methanamine (CID 79673103) is (1-prop-2-enylsulfonylpiperidin-2-yl)methanamine.
What is the SMILES notation for (1-prop-2-enylsulfonylpiperidin-2-yl)methanamine?
The canonical SMILES for (1-prop-2-enylsulfonylpiperidin-2-yl)methanamine is C=CCS(=O)(=O)N1CCCCC1CN.
What is the InChIKey of (1-prop-2-enylsulfonylpiperidin-2-yl)methanamine?
The InChIKey is VGIQUPCPIVDZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-7-14(12,13)11-6-4-3-5-9(11)8-10/h2,9H,1,3-8,10H2.
What are the key properties of (1-prop-2-enylsulfonylpiperidin-2-yl)methanamine?
(1-prop-2-enylsulfonylpiperidin-2-yl)methanamine has a molecular weight of 218.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-enylsulfonylpiperidin-2-yl)methanamine is sourced from PubChem (CID 79673103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).