[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanamine

C11H19N3O3S — CID 43605343

IUPAC[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanamine
SMILESCc1cc(CS(=O)(=O)N2CCC(CN)CC2)no1
InChIInChI=1S/C11H19N3O3S/c1-9-6-11(13-17-9)8-18(15,16)14-4-2-10(7-12)3-5-14/h6,10H,2-5,7-8,12H2,1H3
InChIKeyMDYVEBQLKVXVHD-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.48
Rot. Bonds4

About [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanamine

[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanamine (PubChem CID 43605343) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanamine
PubChem CID43605343
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanamine
SMILESCc1cc(CS(=O)(=O)N2CCC(CN)CC2)no1
InChIInChI=1S/C11H19N3O3S/c1-9-6-11(13-17-9)8-18(15,16)14-4-2-10(7-12)3-5-14/h6,10H,2-5,7-8,12H2,1H3
InChIKeyMDYVEBQLKVXVHD-UHFFFAOYSA-N
XLogP0.48
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanamine (CID 43605343) is [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanamine is Cc1cc(CS(=O)(=O)N2CCC(CN)CC2)no1.
What is the InChIKey of [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanamine?
The InChIKey is MDYVEBQLKVXVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-9-6-11(13-17-9)8-18(15,16)14-4-2-10(7-12)3-5-14/h6,10H,2-5,7-8,12H2,1H3.
What are the key properties of [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanamine?
[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanamine has a molecular weight of 273.36 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 43605343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).