(1-methylsulfonylpiperidin-4-yl)methanamine

C7H16N2O2S — CID 21025186

IUPAC(1-methylsulfonylpiperidin-4-yl)methanamine
SMILESCS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3
InChIKeyIMGMCBHZBZUFDW-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.38
Rot. Bonds2

About (1-methylsulfonylpiperidin-4-yl)methanamine

(1-methylsulfonylpiperidin-4-yl)methanamine (PubChem CID 21025186) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)methanamine
PubChem CID21025186
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name(1-methylsulfonylpiperidin-4-yl)methanamine
SMILESCS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3
InChIKeyIMGMCBHZBZUFDW-UHFFFAOYSA-N
XLogP-0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)methanamine?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)methanamine (CID 21025186) is (1-methylsulfonylpiperidin-4-yl)methanamine.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)methanamine?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)methanamine is CS(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)methanamine?
The InChIKey is IMGMCBHZBZUFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-12(10,11)9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)methanamine?
(1-methylsulfonylpiperidin-4-yl)methanamine has a molecular weight of 192.28 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)methanamine is sourced from PubChem (CID 21025186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).