3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine

C11H17NOS — CID 66230863

IUPAC3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine
SMILESCc1ccc(C2CSCC(C)(C)N2)o1
InChIInChI=1S/C11H17NOS/c1-8-4-5-10(13-8)9-6-14-7-11(2,3)12-9/h4-5,9,12H,6-7H2,1-3H3
InChIKeyNVUHWRFCQCCLRK-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.74
Rot. Bonds1

About 3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine

3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine (PubChem CID 66230863) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine.

Molecular Properties

Compound Name3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine
PubChem CID66230863
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine
SMILESCc1ccc(C2CSCC(C)(C)N2)o1
InChIInChI=1S/C11H17NOS/c1-8-4-5-10(13-8)9-6-14-7-11(2,3)12-9/h4-5,9,12H,6-7H2,1-3H3
InChIKeyNVUHWRFCQCCLRK-UHFFFAOYSA-N
XLogP2.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine?
The IUPAC name of 3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine (CID 66230863) is 3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine.
What is the SMILES notation for 3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine?
The canonical SMILES for 3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine is Cc1ccc(C2CSCC(C)(C)N2)o1.
What is the InChIKey of 3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine?
The InChIKey is NVUHWRFCQCCLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-4-5-10(13-8)9-6-14-7-11(2,3)12-9/h4-5,9,12H,6-7H2,1-3H3.
What are the key properties of 3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine?
3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine has a molecular weight of 211.33 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine is sourced from PubChem (CID 66230863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).