N-[3-(methylamino)propyl]morpholine-4-sulfonamide

C8H19N3O3S — CID 43602848

IUPACN-[3-(methylamino)propyl]morpholine-4-sulfonamide
SMILESCNCCCNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H19N3O3S/c1-9-3-2-4-10-15(12,13)11-5-7-14-8-6-11/h9-10H,2-8H2,1H3
InChIKeyJVMUDYIYDMNETD-UHFFFAOYSA-N
MW237.32 g/mol
LogP-1.24
Rot. Bonds6

About N-[3-(methylamino)propyl]morpholine-4-sulfonamide

N-[3-(methylamino)propyl]morpholine-4-sulfonamide (PubChem CID 43602848) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]morpholine-4-sulfonamide
PubChem CID43602848
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC NameN-[3-(methylamino)propyl]morpholine-4-sulfonamide
SMILESCNCCCNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H19N3O3S/c1-9-3-2-4-10-15(12,13)11-5-7-14-8-6-11/h9-10H,2-8H2,1H3
InChIKeyJVMUDYIYDMNETD-UHFFFAOYSA-N
XLogP-1.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.24
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-(methylamino)propyl]morpholine-4-sulfonamide?
The IUPAC name of N-[3-(methylamino)propyl]morpholine-4-sulfonamide (CID 43602848) is N-[3-(methylamino)propyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[3-(methylamino)propyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[3-(methylamino)propyl]morpholine-4-sulfonamide is CNCCCNS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[3-(methylamino)propyl]morpholine-4-sulfonamide?
The InChIKey is JVMUDYIYDMNETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-9-3-2-4-10-15(12,13)11-5-7-14-8-6-11/h9-10H,2-8H2,1H3.
What are the key properties of N-[3-(methylamino)propyl]morpholine-4-sulfonamide?
N-[3-(methylamino)propyl]morpholine-4-sulfonamide has a molecular weight of 237.32 g/mol, XLogP of -1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]morpholine-4-sulfonamide is sourced from PubChem (CID 43602848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).