3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine

C12H23NS — CID 131076356

IUPAC3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine
SMILESCCC1CSC(C)C(C2CC2(C)C)N1
InChIInChI=1S/C12H23NS/c1-5-9-7-14-8(2)11(13-9)10-6-12(10,3)4/h8-11,13H,5-7H2,1-4H3
InChIKeyINWUHMVNUINCSW-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.90
Rot. Bonds2

About 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine

3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine (PubChem CID 131076356) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine
PubChem CID131076356
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine
SMILESCCC1CSC(C)C(C2CC2(C)C)N1
InChIInChI=1S/C12H23NS/c1-5-9-7-14-8(2)11(13-9)10-6-12(10,3)4/h8-11,13H,5-7H2,1-4H3
InChIKeyINWUHMVNUINCSW-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine?
The IUPAC name of 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine (CID 131076356) is 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine.
What is the SMILES notation for 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine?
The canonical SMILES for 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine is CCC1CSC(C)C(C2CC2(C)C)N1.
What is the InChIKey of 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine?
The InChIKey is INWUHMVNUINCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-5-9-7-14-8(2)11(13-9)10-6-12(10,3)4/h8-11,13H,5-7H2,1-4H3.
What are the key properties of 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine?
3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine has a molecular weight of 213.39 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine is sourced from PubChem (CID 131076356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).