3-(pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride

C9H19ClN2S — CID 19735829

IUPAC3-(pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride
SMILESC1CCN(CC2CSCCN2)C1.Cl
InChIInChI=1S/C9H18N2S.ClH/c1-2-5-11(4-1)7-9-8-12-6-3-10-9;/h9-10H,1-8H2;1H
InChIKeyAXFXRRZPJGSEMQ-UHFFFAOYSA-N
MW222.78 g/mol
LogP1.21
Rot. Bonds2

About 3-(pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride

3-(pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride (PubChem CID 19735829) has the molecular formula C9H19ClN2S and a molecular weight of 222.78 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride
PubChem CID19735829
Molecular FormulaC9H19ClN2S
Molecular Weight222.78 g/mol
Exact Mass222.10
IUPAC Name3-(pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride
SMILESC1CCN(CC2CSCCN2)C1.Cl
InChIInChI=1S/C9H18N2S.ClH/c1-2-5-11(4-1)7-9-8-12-6-3-10-9;/h9-10H,1-8H2;1H
InChIKeyAXFXRRZPJGSEMQ-UHFFFAOYSA-N
XLogP1.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.78
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride (CID 19735829) is 3-(pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride is C1CCN(CC2CSCCN2)C1.Cl.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride?
The InChIKey is AXFXRRZPJGSEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S.ClH/c1-2-5-11(4-1)7-9-8-12-6-3-10-9;/h9-10H,1-8H2;1H.
What are the key properties of 3-(pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride?
3-(pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride has a molecular weight of 222.78 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)thiomorpholine;hydrochloride is sourced from PubChem (CID 19735829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).