N-(3-ethylsulfonylpropyl)morpholin-4-amine

C9H20N2O3S — CID 83020956

IUPACN-(3-ethylsulfonylpropyl)morpholin-4-amine
SMILESCCS(=O)(=O)CCCNN1CCOCC1
InChIInChI=1S/C9H20N2O3S/c1-2-15(12,13)9-3-4-10-11-5-7-14-8-6-11/h10H,2-9H2,1H3
InChIKeyNNIHFLCCPXSQOB-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.35
Rot. Bonds6

About N-(3-ethylsulfonylpropyl)morpholin-4-amine

N-(3-ethylsulfonylpropyl)morpholin-4-amine (PubChem CID 83020956) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(3-ethylsulfonylpropyl)morpholin-4-amine.

Molecular Properties

Compound NameN-(3-ethylsulfonylpropyl)morpholin-4-amine
PubChem CID83020956
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(3-ethylsulfonylpropyl)morpholin-4-amine
SMILESCCS(=O)(=O)CCCNN1CCOCC1
InChIInChI=1S/C9H20N2O3S/c1-2-15(12,13)9-3-4-10-11-5-7-14-8-6-11/h10H,2-9H2,1H3
InChIKeyNNIHFLCCPXSQOB-UHFFFAOYSA-N
XLogP-0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
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-(3-ethylsulfonylpropyl)morpholin-4-amine?
The IUPAC name of N-(3-ethylsulfonylpropyl)morpholin-4-amine (CID 83020956) is N-(3-ethylsulfonylpropyl)morpholin-4-amine.
What is the SMILES notation for N-(3-ethylsulfonylpropyl)morpholin-4-amine?
The canonical SMILES for N-(3-ethylsulfonylpropyl)morpholin-4-amine is CCS(=O)(=O)CCCNN1CCOCC1.
What is the InChIKey of N-(3-ethylsulfonylpropyl)morpholin-4-amine?
The InChIKey is NNIHFLCCPXSQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-2-15(12,13)9-3-4-10-11-5-7-14-8-6-11/h10H,2-9H2,1H3.
What are the key properties of N-(3-ethylsulfonylpropyl)morpholin-4-amine?
N-(3-ethylsulfonylpropyl)morpholin-4-amine has a molecular weight of 236.34 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylpropyl)morpholin-4-amine is sourced from PubChem (CID 83020956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).