N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine

C12H26N2O3S2 — CID 66375608

IUPACN-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1CCNCCCOC
InChIInChI=1S/C12H26N2O3S2/c1-3-19(15,16)12-11-18-10-8-14(12)7-6-13-5-4-9-17-2/h12-13H,3-11H2,1-2H3
InChIKeyLOAKZCOFYNSOHQ-UHFFFAOYSA-N
MW310.49 g/mol
LogP0.42
Rot. Bonds9

About N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine

N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine (PubChem CID 66375608) has the molecular formula C12H26N2O3S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine
PubChem CID66375608
Molecular FormulaC12H26N2O3S2
Molecular Weight310.49 g/mol
Exact Mass310.14
IUPAC NameN-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1CCNCCCOC
InChIInChI=1S/C12H26N2O3S2/c1-3-19(15,16)12-11-18-10-8-14(12)7-6-13-5-4-9-17-2/h12-13H,3-11H2,1-2H3
InChIKeyLOAKZCOFYNSOHQ-UHFFFAOYSA-N
XLogP0.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine (CID 66375608) is N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine is CCS(=O)(=O)C1CSCCN1CCNCCCOC.
What is the InChIKey of N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine?
The InChIKey is LOAKZCOFYNSOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S2/c1-3-19(15,16)12-11-18-10-8-14(12)7-6-13-5-4-9-17-2/h12-13H,3-11H2,1-2H3.
What are the key properties of N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine?
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine has a molecular weight of 310.49 g/mol, XLogP of 0.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 66375608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).