2-(ethylsulfanylmethyl)morpholine

C7H15NOS — CID 64534068

IUPAC2-(ethylsulfanylmethyl)morpholine
SMILESCCSCC1CNCCO1
InChIInChI=1S/C7H15NOS/c1-2-10-6-7-5-8-3-4-9-7/h7-8H,2-6H2,1H3
InChIKeySHNKYPJKDJUUMH-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.73
Rot. Bonds3

About 2-(ethylsulfanylmethyl)morpholine

2-(ethylsulfanylmethyl)morpholine (PubChem CID 64534068) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)morpholine.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)morpholine
PubChem CID64534068
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-(ethylsulfanylmethyl)morpholine
SMILESCCSCC1CNCCO1
InChIInChI=1S/C7H15NOS/c1-2-10-6-7-5-8-3-4-9-7/h7-8H,2-6H2,1H3
InChIKeySHNKYPJKDJUUMH-UHFFFAOYSA-N
XLogP0.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)morpholine?
The IUPAC name of 2-(ethylsulfanylmethyl)morpholine (CID 64534068) is 2-(ethylsulfanylmethyl)morpholine.
What is the SMILES notation for 2-(ethylsulfanylmethyl)morpholine?
The canonical SMILES for 2-(ethylsulfanylmethyl)morpholine is CCSCC1CNCCO1.
What is the InChIKey of 2-(ethylsulfanylmethyl)morpholine?
The InChIKey is SHNKYPJKDJUUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-2-10-6-7-5-8-3-4-9-7/h7-8H,2-6H2,1H3.
What are the key properties of 2-(ethylsulfanylmethyl)morpholine?
2-(ethylsulfanylmethyl)morpholine has a molecular weight of 161.27 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)morpholine is sourced from PubChem (CID 64534068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).