4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine

C9H18N2S — CID 28787653

IUPAC4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine
SMILESC1CN[C@H](CN2CCSCC2)C1
InChIInChI=1S/C9H18N2S/c1-2-9(10-3-1)8-11-4-6-12-7-5-11/h9-10H,1-8H2/t9-/m0/s1
InChIKeySJDJIBHRMOPSOD-VIFPVBQESA-N
MW186.32 g/mol
LogP0.79
Rot. Bonds2

About 4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine

4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine (PubChem CID 28787653) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine.

Molecular Properties

Compound Name4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine
PubChem CID28787653
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine
SMILESC1CN[C@H](CN2CCSCC2)C1
InChIInChI=1S/C9H18N2S/c1-2-9(10-3-1)8-11-4-6-12-7-5-11/h9-10H,1-8H2/t9-/m0/s1
InChIKeySJDJIBHRMOPSOD-VIFPVBQESA-N
XLogP0.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine?
The IUPAC name of 4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine (CID 28787653) is 4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine.
What is the SMILES notation for 4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine?
The canonical SMILES for 4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine is C1CN[C@H](CN2CCSCC2)C1.
What is the InChIKey of 4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine?
The InChIKey is SJDJIBHRMOPSOD-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-9(10-3-1)8-11-4-6-12-7-5-11/h9-10H,1-8H2/t9-/m0/s1.
What are the key properties of 4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine?
4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine has a molecular weight of 186.32 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine is sourced from PubChem (CID 28787653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).