2-propan-2-ylmorpholine-4-sulfonamide

C7H16N2O3S — CID 58468690

IUPAC2-propan-2-ylmorpholine-4-sulfonamide
SMILESCC(C)C1CN(S(N)(=O)=O)CCO1
InChIInChI=1S/C7H16N2O3S/c1-6(2)7-5-9(3-4-12-7)13(8,10)11/h6-7H,3-5H2,1-2H3,(H2,8,10,11)
InChIKeyPYGWLUPXMLAONT-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.45
Rot. Bonds2

About 2-propan-2-ylmorpholine-4-sulfonamide

2-propan-2-ylmorpholine-4-sulfonamide (PubChem CID 58468690) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-propan-2-ylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name2-propan-2-ylmorpholine-4-sulfonamide
PubChem CID58468690
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-propan-2-ylmorpholine-4-sulfonamide
SMILESCC(C)C1CN(S(N)(=O)=O)CCO1
InChIInChI=1S/C7H16N2O3S/c1-6(2)7-5-9(3-4-12-7)13(8,10)11/h6-7H,3-5H2,1-2H3,(H2,8,10,11)
InChIKeyPYGWLUPXMLAONT-UHFFFAOYSA-N
XLogP-0.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylmorpholine-4-sulfonamide?
The IUPAC name of 2-propan-2-ylmorpholine-4-sulfonamide (CID 58468690) is 2-propan-2-ylmorpholine-4-sulfonamide.
What is the SMILES notation for 2-propan-2-ylmorpholine-4-sulfonamide?
The canonical SMILES for 2-propan-2-ylmorpholine-4-sulfonamide is CC(C)C1CN(S(N)(=O)=O)CCO1.
What is the InChIKey of 2-propan-2-ylmorpholine-4-sulfonamide?
The InChIKey is PYGWLUPXMLAONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-6(2)7-5-9(3-4-12-7)13(8,10)11/h6-7H,3-5H2,1-2H3,(H2,8,10,11).
What are the key properties of 2-propan-2-ylmorpholine-4-sulfonamide?
2-propan-2-ylmorpholine-4-sulfonamide has a molecular weight of 208.28 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylmorpholine-4-sulfonamide is sourced from PubChem (CID 58468690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).