2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide

C12H26N2O4S — CID 47018741

IUPAC2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide
SMILESCC(C)OCCCNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H26N2O4S/c1-10(2)17-7-5-6-13-19(15,16)14-8-11(3)18-12(4)9-14/h10-13H,5-9H2,1-4H3
InChIKeyLDPBKKRSSLZRHF-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.75
Rot. Bonds7

About 2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide

2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide (PubChem CID 47018741) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide
PubChem CID47018741
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Name2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide
SMILESCC(C)OCCCNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H26N2O4S/c1-10(2)17-7-5-6-13-19(15,16)14-8-11(3)18-12(4)9-14/h10-13H,5-9H2,1-4H3
InChIKeyLDPBKKRSSLZRHF-UHFFFAOYSA-N
XLogP0.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.75
H-Bond Donors ≤ 51
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 2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide?
The IUPAC name of 2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide (CID 47018741) is 2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide.
What is the SMILES notation for 2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide?
The canonical SMILES for 2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide is CC(C)OCCCNS(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide?
The InChIKey is LDPBKKRSSLZRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-10(2)17-7-5-6-13-19(15,16)14-8-11(3)18-12(4)9-14/h10-13H,5-9H2,1-4H3.
What are the key properties of 2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide?
2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide has a molecular weight of 294.42 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide is sourced from PubChem (CID 47018741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).