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

C10H17N3O3S — CID 43556289

IUPAC1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-amine
SMILESCc1cc(CS(=O)(=O)N2CCC(N)CC2)no1
InChIInChI=1S/C10H17N3O3S/c1-8-6-10(12-16-8)7-17(14,15)13-4-2-9(11)3-5-13/h6,9H,2-5,7,11H2,1H3
InChIKeyBCAQPCRFLPXKCL-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.24
Rot. Bonds3

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

1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-amine (PubChem CID 43556289) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-amine
PubChem CID43556289
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-amine
SMILESCc1cc(CS(=O)(=O)N2CCC(N)CC2)no1
InChIInChI=1S/C10H17N3O3S/c1-8-6-10(12-16-8)7-17(14,15)13-4-2-9(11)3-5-13/h6,9H,2-5,7,11H2,1H3
InChIKeyBCAQPCRFLPXKCL-UHFFFAOYSA-N
XLogP0.24
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.24
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-amine?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-amine (CID 43556289) is 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-amine.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-amine?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-amine is Cc1cc(CS(=O)(=O)N2CCC(N)CC2)no1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-amine?
The InChIKey is BCAQPCRFLPXKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-8-6-10(12-16-8)7-17(14,15)13-4-2-9(11)3-5-13/h6,9H,2-5,7,11H2,1H3.
What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-amine?
1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 0.24, 3 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-amine is sourced from PubChem (CID 43556289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).