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

C10H20N2O2S — CID 79673213

IUPAC(6-methyl-1-prop-2-enylsulfonylpiperidin-2-yl)methanamine
SMILESC=CCS(=O)(=O)N1C(C)CCCC1CN
InChIInChI=1S/C10H20N2O2S/c1-3-7-15(13,14)12-9(2)5-4-6-10(12)8-11/h3,9-10H,1,4-8,11H2,2H3
InChIKeyOSOHIHBHBTUCMH-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.70
Rot. Bonds4

About (6-methyl-1-prop-2-enylsulfonylpiperidin-2-yl)methanamine

(6-methyl-1-prop-2-enylsulfonylpiperidin-2-yl)methanamine (PubChem CID 79673213) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (6-methyl-1-prop-2-enylsulfonylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(6-methyl-1-prop-2-enylsulfonylpiperidin-2-yl)methanamine
PubChem CID79673213
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name(6-methyl-1-prop-2-enylsulfonylpiperidin-2-yl)methanamine
SMILESC=CCS(=O)(=O)N1C(C)CCCC1CN
InChIInChI=1S/C10H20N2O2S/c1-3-7-15(13,14)12-9(2)5-4-6-10(12)8-11/h3,9-10H,1,4-8,11H2,2H3
InChIKeyOSOHIHBHBTUCMH-UHFFFAOYSA-N
XLogP0.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.70
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 (6-methyl-1-prop-2-enylsulfonylpiperidin-2-yl)methanamine?
The IUPAC name of (6-methyl-1-prop-2-enylsulfonylpiperidin-2-yl)methanamine (CID 79673213) is (6-methyl-1-prop-2-enylsulfonylpiperidin-2-yl)methanamine.
What is the SMILES notation for (6-methyl-1-prop-2-enylsulfonylpiperidin-2-yl)methanamine?
The canonical SMILES for (6-methyl-1-prop-2-enylsulfonylpiperidin-2-yl)methanamine is C=CCS(=O)(=O)N1C(C)CCCC1CN.
What is the InChIKey of (6-methyl-1-prop-2-enylsulfonylpiperidin-2-yl)methanamine?
The InChIKey is OSOHIHBHBTUCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-7-15(13,14)12-9(2)5-4-6-10(12)8-11/h3,9-10H,1,4-8,11H2,2H3.
What are the key properties of (6-methyl-1-prop-2-enylsulfonylpiperidin-2-yl)methanamine?
(6-methyl-1-prop-2-enylsulfonylpiperidin-2-yl)methanamine has a molecular weight of 232.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1-prop-2-enylsulfonylpiperidin-2-yl)methanamine is sourced from PubChem (CID 79673213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).