N-morpholin-4-yl-2-(octylamino)ethanesulfonamide

C14H31N3O3S — CID 44602029

IUPACN-morpholin-4-yl-2-(octylamino)ethanesulfonamide
SMILESCCCCCCCCNCCS(=O)(=O)NN1CCOCC1
InChIInChI=1S/C14H31N3O3S/c1-2-3-4-5-6-7-8-15-9-14-21(18,19)16-17-10-12-20-13-11-17/h15-16H,2-14H2,1H3
InChIKeyVEKMWCATNMIHDT-UHFFFAOYSA-N
MW321.49 g/mol
LogP1.10
Rot. Bonds12

About N-morpholin-4-yl-2-(octylamino)ethanesulfonamide

N-morpholin-4-yl-2-(octylamino)ethanesulfonamide (PubChem CID 44602029) has the molecular formula C14H31N3O3S and a molecular weight of 321.49 g/mol. Its IUPAC name is N-morpholin-4-yl-2-(octylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-morpholin-4-yl-2-(octylamino)ethanesulfonamide
PubChem CID44602029
Molecular FormulaC14H31N3O3S
Molecular Weight321.49 g/mol
Exact Mass321.21
IUPAC NameN-morpholin-4-yl-2-(octylamino)ethanesulfonamide
SMILESCCCCCCCCNCCS(=O)(=O)NN1CCOCC1
InChIInChI=1S/C14H31N3O3S/c1-2-3-4-5-6-7-8-15-9-14-21(18,19)16-17-10-12-20-13-11-17/h15-16H,2-14H2,1H3
InChIKeyVEKMWCATNMIHDT-UHFFFAOYSA-N
XLogP1.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-morpholin-4-yl-2-(octylamino)ethanesulfonamide?
The IUPAC name of N-morpholin-4-yl-2-(octylamino)ethanesulfonamide (CID 44602029) is N-morpholin-4-yl-2-(octylamino)ethanesulfonamide.
What is the SMILES notation for N-morpholin-4-yl-2-(octylamino)ethanesulfonamide?
The canonical SMILES for N-morpholin-4-yl-2-(octylamino)ethanesulfonamide is CCCCCCCCNCCS(=O)(=O)NN1CCOCC1.
What is the InChIKey of N-morpholin-4-yl-2-(octylamino)ethanesulfonamide?
The InChIKey is VEKMWCATNMIHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O3S/c1-2-3-4-5-6-7-8-15-9-14-21(18,19)16-17-10-12-20-13-11-17/h15-16H,2-14H2,1H3.
What are the key properties of N-morpholin-4-yl-2-(octylamino)ethanesulfonamide?
N-morpholin-4-yl-2-(octylamino)ethanesulfonamide has a molecular weight of 321.49 g/mol, XLogP of 1.10, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-2-(octylamino)ethanesulfonamide is sourced from PubChem (CID 44602029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).