N-(1-hydroxypropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide

C9H20N2O4S — CID 43502098

IUPACN-(1-hydroxypropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC(CO)NS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C9H20N2O4S/c1-7(6-12)10-16(13,14)11-4-8(2)15-9(3)5-11/h7-10,12H,4-6H2,1-3H3
InChIKeyUPYRLPPVFFALBZ-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.69
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide

N-(1-hydroxypropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 43502098) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID43502098
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC NameN-(1-hydroxypropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC(CO)NS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C9H20N2O4S/c1-7(6-12)10-16(13,14)11-4-8(2)15-9(3)5-11/h7-10,12H,4-6H2,1-3H3
InChIKeyUPYRLPPVFFALBZ-UHFFFAOYSA-N
XLogP-0.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide (CID 43502098) is N-(1-hydroxypropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide is CC(CO)NS(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is UPYRLPPVFFALBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-7(6-12)10-16(13,14)11-4-8(2)15-9(3)5-11/h7-10,12H,4-6H2,1-3H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide?
N-(1-hydroxypropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 252.34 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 43502098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).