(3R)-3-(pyrrolidin-1-ylmethyl)thiomorpholine

C9H18N2S — CID 18645474

IUPAC(3R)-3-(pyrrolidin-1-ylmethyl)thiomorpholine
SMILESC1CCN(C[C@@H]2CSCCN2)C1
InChIInChI=1S/C9H18N2S/c1-2-5-11(4-1)7-9-8-12-6-3-10-9/h9-10H,1-8H2/t9-/m1/s1
InChIKeyKGGYRSFDOTUMNB-SECBINFHSA-N
MW186.32 g/mol
LogP0.79
Rot. Bonds2

About (3R)-3-(pyrrolidin-1-ylmethyl)thiomorpholine

(3R)-3-(pyrrolidin-1-ylmethyl)thiomorpholine (PubChem CID 18645474) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is (3R)-3-(pyrrolidin-1-ylmethyl)thiomorpholine.

Molecular Properties

Compound Name(3R)-3-(pyrrolidin-1-ylmethyl)thiomorpholine
PubChem CID18645474
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name(3R)-3-(pyrrolidin-1-ylmethyl)thiomorpholine
SMILESC1CCN(C[C@@H]2CSCCN2)C1
InChIInChI=1S/C9H18N2S/c1-2-5-11(4-1)7-9-8-12-6-3-10-9/h9-10H,1-8H2/t9-/m1/s1
InChIKeyKGGYRSFDOTUMNB-SECBINFHSA-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 (3R)-3-(pyrrolidin-1-ylmethyl)thiomorpholine?
The IUPAC name of (3R)-3-(pyrrolidin-1-ylmethyl)thiomorpholine (CID 18645474) is (3R)-3-(pyrrolidin-1-ylmethyl)thiomorpholine.
What is the SMILES notation for (3R)-3-(pyrrolidin-1-ylmethyl)thiomorpholine?
The canonical SMILES for (3R)-3-(pyrrolidin-1-ylmethyl)thiomorpholine is C1CCN(C[C@@H]2CSCCN2)C1.
What is the InChIKey of (3R)-3-(pyrrolidin-1-ylmethyl)thiomorpholine?
The InChIKey is KGGYRSFDOTUMNB-SECBINFHSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-5-11(4-1)7-9-8-12-6-3-10-9/h9-10H,1-8H2/t9-/m1/s1.
What are the key properties of (3R)-3-(pyrrolidin-1-ylmethyl)thiomorpholine?
(3R)-3-(pyrrolidin-1-ylmethyl)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 (3R)-3-(pyrrolidin-1-ylmethyl)thiomorpholine is sourced from PubChem (CID 18645474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).