2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine

C10H18N2O3S — CID 106724059

IUPAC2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESCC(C)(C)S(=O)(=O)CCNCc1ccon1
InChIInChI=1S/C10H18N2O3S/c1-10(2,3)16(13,14)7-5-11-8-9-4-6-15-12-9/h4,6,11H,5,7-8H2,1-3H3
InChIKeyJPIXYOKMTOUSMN-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.98
Rot. Bonds5

About 2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine

2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine (PubChem CID 106724059) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine
PubChem CID106724059
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESCC(C)(C)S(=O)(=O)CCNCc1ccon1
InChIInChI=1S/C10H18N2O3S/c1-10(2,3)16(13,14)7-5-11-8-9-4-6-15-12-9/h4,6,11H,5,7-8H2,1-3H3
InChIKeyJPIXYOKMTOUSMN-UHFFFAOYSA-N
XLogP0.98
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The IUPAC name of 2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine (CID 106724059) is 2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The canonical SMILES for 2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine is CC(C)(C)S(=O)(=O)CCNCc1ccon1.
What is the InChIKey of 2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The InChIKey is JPIXYOKMTOUSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-10(2,3)16(13,14)7-5-11-8-9-4-6-15-12-9/h4,6,11H,5,7-8H2,1-3H3.
What are the key properties of 2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine?
2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine has a molecular weight of 246.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 106724059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).