3-(pyrrolidin-1-ylmethylsulfanyl)morpholine

C9H18N2OS — CID 57182320

IUPAC3-(pyrrolidin-1-ylmethylsulfanyl)morpholine
SMILESC1CCN(CSC2COCCN2)C1
InChIInChI=1S/C9H18N2OS/c1-2-5-11(4-1)8-13-9-7-12-6-3-10-9/h9-10H,1-8H2
InChIKeyIKCJNFBPSFBQDD-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.72
Rot. Bonds3

About 3-(pyrrolidin-1-ylmethylsulfanyl)morpholine

3-(pyrrolidin-1-ylmethylsulfanyl)morpholine (PubChem CID 57182320) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethylsulfanyl)morpholine.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethylsulfanyl)morpholine
PubChem CID57182320
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name3-(pyrrolidin-1-ylmethylsulfanyl)morpholine
SMILESC1CCN(CSC2COCCN2)C1
InChIInChI=1S/C9H18N2OS/c1-2-5-11(4-1)8-13-9-7-12-6-3-10-9/h9-10H,1-8H2
InChIKeyIKCJNFBPSFBQDD-UHFFFAOYSA-N
XLogP0.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethylsulfanyl)morpholine?
The IUPAC name of 3-(pyrrolidin-1-ylmethylsulfanyl)morpholine (CID 57182320) is 3-(pyrrolidin-1-ylmethylsulfanyl)morpholine.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethylsulfanyl)morpholine?
The canonical SMILES for 3-(pyrrolidin-1-ylmethylsulfanyl)morpholine is C1CCN(CSC2COCCN2)C1.
What is the InChIKey of 3-(pyrrolidin-1-ylmethylsulfanyl)morpholine?
The InChIKey is IKCJNFBPSFBQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-2-5-11(4-1)8-13-9-7-12-6-3-10-9/h9-10H,1-8H2.
What are the key properties of 3-(pyrrolidin-1-ylmethylsulfanyl)morpholine?
3-(pyrrolidin-1-ylmethylsulfanyl)morpholine has a molecular weight of 202.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethylsulfanyl)morpholine is sourced from PubChem (CID 57182320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).