N-(2-methylsulfonylethyl)-2-morpholin-4-ylethanamine

C9H20N2O3S — CID 59535416

IUPACN-(2-methylsulfonylethyl)-2-morpholin-4-ylethanamine
SMILESCS(=O)(=O)CCNCCN1CCOCC1
InChIInChI=1S/C9H20N2O3S/c1-15(12,13)9-3-10-2-4-11-5-7-14-8-6-11/h10H,2-9H2,1H3
InChIKeyQNEWOUIGRIKUCM-UHFFFAOYSA-N
MW236.34 g/mol
LogP-1.05
Rot. Bonds6

About N-(2-methylsulfonylethyl)-2-morpholin-4-ylethanamine

N-(2-methylsulfonylethyl)-2-morpholin-4-ylethanamine (PubChem CID 59535416) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-2-morpholin-4-ylethanamine
PubChem CID59535416
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(2-methylsulfonylethyl)-2-morpholin-4-ylethanamine
SMILESCS(=O)(=O)CCNCCN1CCOCC1
InChIInChI=1S/C9H20N2O3S/c1-15(12,13)9-3-10-2-4-11-5-7-14-8-6-11/h10H,2-9H2,1H3
InChIKeyQNEWOUIGRIKUCM-UHFFFAOYSA-N
XLogP-1.05
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 ≤ 5-1.05
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-(2-methylsulfonylethyl)-2-morpholin-4-ylethanamine?
The IUPAC name of N-(2-methylsulfonylethyl)-2-morpholin-4-ylethanamine (CID 59535416) is N-(2-methylsulfonylethyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for N-(2-methylsulfonylethyl)-2-morpholin-4-ylethanamine is CS(=O)(=O)CCNCCN1CCOCC1.
What is the InChIKey of N-(2-methylsulfonylethyl)-2-morpholin-4-ylethanamine?
The InChIKey is QNEWOUIGRIKUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-15(12,13)9-3-10-2-4-11-5-7-14-8-6-11/h10H,2-9H2,1H3.
What are the key properties of N-(2-methylsulfonylethyl)-2-morpholin-4-ylethanamine?
N-(2-methylsulfonylethyl)-2-morpholin-4-ylethanamine has a molecular weight of 236.34 g/mol, XLogP of -1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 59535416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).