2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline

C14H22N2O3S — CID 64532962

IUPAC2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
SMILESCC(C)N1CCOC(CS(=O)(=O)c2ccccc2N)C1
InChIInChI=1S/C14H22N2O3S/c1-11(2)16-7-8-19-12(9-16)10-20(17,18)14-6-4-3-5-13(14)15/h3-6,11-12H,7-10,15H2,1-2H3
InChIKeyDOKCFONEYKLKIQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.15
Rot. Bonds4

About 2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline

2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline (PubChem CID 64532962) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline.

Molecular Properties

Compound Name2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
PubChem CID64532962
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
SMILESCC(C)N1CCOC(CS(=O)(=O)c2ccccc2N)C1
InChIInChI=1S/C14H22N2O3S/c1-11(2)16-7-8-19-12(9-16)10-20(17,18)14-6-4-3-5-13(14)15/h3-6,11-12H,7-10,15H2,1-2H3
InChIKeyDOKCFONEYKLKIQ-UHFFFAOYSA-N
XLogP1.15
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline?
The IUPAC name of 2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline (CID 64532962) is 2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline.
What is the SMILES notation for 2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline?
The canonical SMILES for 2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline is CC(C)N1CCOC(CS(=O)(=O)c2ccccc2N)C1.
What is the InChIKey of 2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline?
The InChIKey is DOKCFONEYKLKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(2)16-7-8-19-12(9-16)10-20(17,18)14-6-4-3-5-13(14)15/h3-6,11-12H,7-10,15H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline?
2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline has a molecular weight of 298.41 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline is sourced from PubChem (CID 64532962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).