N-propylmorpholine-4-sulfonamide

C7H16N2O3S — CID 43213438

IUPACN-propylmorpholine-4-sulfonamide
SMILESCCCNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H16N2O3S/c1-2-3-8-13(10,11)9-4-6-12-7-5-9/h8H,2-7H2,1H3
InChIKeyQEGGGAUMYFRCCL-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.44
Rot. Bonds4

About N-propylmorpholine-4-sulfonamide

N-propylmorpholine-4-sulfonamide (PubChem CID 43213438) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-propylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-propylmorpholine-4-sulfonamide
PubChem CID43213438
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-propylmorpholine-4-sulfonamide
SMILESCCCNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H16N2O3S/c1-2-3-8-13(10,11)9-4-6-12-7-5-9/h8H,2-7H2,1H3
InChIKeyQEGGGAUMYFRCCL-UHFFFAOYSA-N
XLogP-0.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propylmorpholine-4-sulfonamide?
The IUPAC name of N-propylmorpholine-4-sulfonamide (CID 43213438) is N-propylmorpholine-4-sulfonamide.
What is the SMILES notation for N-propylmorpholine-4-sulfonamide?
The canonical SMILES for N-propylmorpholine-4-sulfonamide is CCCNS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-propylmorpholine-4-sulfonamide?
The InChIKey is QEGGGAUMYFRCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-2-3-8-13(10,11)9-4-6-12-7-5-9/h8H,2-7H2,1H3.
What are the key properties of N-propylmorpholine-4-sulfonamide?
N-propylmorpholine-4-sulfonamide has a molecular weight of 208.28 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylmorpholine-4-sulfonamide is sourced from PubChem (CID 43213438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).