N-(3-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide

C9H20N2O4S — CID 43501428

IUPACN-(3-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCCCO)CC(C)O1
InChIInChI=1S/C9H20N2O4S/c1-8-6-11(7-9(2)15-8)16(13,14)10-4-3-5-12/h8-10,12H,3-7H2,1-2H3
InChIKeySJXOBGLTQDIWPT-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.69
Rot. Bonds5

About N-(3-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide

N-(3-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 43501428) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID43501428
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC NameN-(3-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCCCO)CC(C)O1
InChIInChI=1S/C9H20N2O4S/c1-8-6-11(7-9(2)15-8)16(13,14)10-4-3-5-12/h8-10,12H,3-7H2,1-2H3
InChIKeySJXOBGLTQDIWPT-UHFFFAOYSA-N
XLogP-0.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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 N-(3-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide (CID 43501428) is N-(3-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide is CC1CN(S(=O)(=O)NCCCO)CC(C)O1.
What is the InChIKey of N-(3-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is SJXOBGLTQDIWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-8-6-11(7-9(2)15-8)16(13,14)10-4-3-5-12/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide?
N-(3-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 252.34 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 43501428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).