2-(methylsulfanylmethyl)morpholine

C6H13NOS — CID 64535686

IUPAC2-(methylsulfanylmethyl)morpholine
SMILESCSCC1CNCCO1
InChIInChI=1S/C6H13NOS/c1-9-5-6-4-7-2-3-8-6/h6-7H,2-5H2,1H3
InChIKeyPYPAWYORLRKCAH-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.34
Rot. Bonds2

About 2-(methylsulfanylmethyl)morpholine

2-(methylsulfanylmethyl)morpholine (PubChem CID 64535686) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)morpholine.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)morpholine
PubChem CID64535686
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2-(methylsulfanylmethyl)morpholine
SMILESCSCC1CNCCO1
InChIInChI=1S/C6H13NOS/c1-9-5-6-4-7-2-3-8-6/h6-7H,2-5H2,1H3
InChIKeyPYPAWYORLRKCAH-UHFFFAOYSA-N
XLogP0.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)morpholine?
The IUPAC name of 2-(methylsulfanylmethyl)morpholine (CID 64535686) is 2-(methylsulfanylmethyl)morpholine.
What is the SMILES notation for 2-(methylsulfanylmethyl)morpholine?
The canonical SMILES for 2-(methylsulfanylmethyl)morpholine is CSCC1CNCCO1.
What is the InChIKey of 2-(methylsulfanylmethyl)morpholine?
The InChIKey is PYPAWYORLRKCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-9-5-6-4-7-2-3-8-6/h6-7H,2-5H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)morpholine?
2-(methylsulfanylmethyl)morpholine has a molecular weight of 147.24 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)morpholine is sourced from PubChem (CID 64535686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).