2,2-dimethylthiomorpholine

C6H13NS — CID 19425061

IUPAC2,2-dimethylthiomorpholine
SMILESCC1(C)CNCCS1
InChIInChI=1S/C6H13NS/c1-6(2)5-7-3-4-8-6/h7H,3-5H2,1-2H3
InChIKeyFUGFMGKHXKOFDJ-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.10
Rot. Bonds

About 2,2-dimethylthiomorpholine

2,2-dimethylthiomorpholine (PubChem CID 19425061) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 2,2-dimethylthiomorpholine.

Molecular Properties

Compound Name2,2-dimethylthiomorpholine
PubChem CID19425061
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name2,2-dimethylthiomorpholine
SMILESCC1(C)CNCCS1
InChIInChI=1S/C6H13NS/c1-6(2)5-7-3-4-8-6/h7H,3-5H2,1-2H3
InChIKeyFUGFMGKHXKOFDJ-UHFFFAOYSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylthiomorpholine?
The IUPAC name of 2,2-dimethylthiomorpholine (CID 19425061) is 2,2-dimethylthiomorpholine.
What is the SMILES notation for 2,2-dimethylthiomorpholine?
The canonical SMILES for 2,2-dimethylthiomorpholine is CC1(C)CNCCS1.
What is the InChIKey of 2,2-dimethylthiomorpholine?
The InChIKey is FUGFMGKHXKOFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-6(2)5-7-3-4-8-6/h7H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethylthiomorpholine?
2,2-dimethylthiomorpholine has a molecular weight of 131.24 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylthiomorpholine is sourced from PubChem (CID 19425061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).