(6,6-dimethylthiomorpholin-3-yl)methanol

C7H15NOS — CID 53275715

IUPAC(6,6-dimethylthiomorpholin-3-yl)methanol
SMILESCC1(C)CNC(CO)CS1
InChIInChI=1S/C7H15NOS/c1-7(2)5-8-6(3-9)4-10-7/h6,8-9H,3-5H2,1-2H3
InChIKeyKOOCQTAKBNHSTB-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.46
Rot. Bonds1

About (6,6-dimethylthiomorpholin-3-yl)methanol

(6,6-dimethylthiomorpholin-3-yl)methanol (PubChem CID 53275715) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (6,6-dimethylthiomorpholin-3-yl)methanol.

Molecular Properties

Compound Name(6,6-dimethylthiomorpholin-3-yl)methanol
PubChem CID53275715
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(6,6-dimethylthiomorpholin-3-yl)methanol
SMILESCC1(C)CNC(CO)CS1
InChIInChI=1S/C7H15NOS/c1-7(2)5-8-6(3-9)4-10-7/h6,8-9H,3-5H2,1-2H3
InChIKeyKOOCQTAKBNHSTB-UHFFFAOYSA-N
XLogP0.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6,6-dimethylthiomorpholin-3-yl)methanol?
The IUPAC name of (6,6-dimethylthiomorpholin-3-yl)methanol (CID 53275715) is (6,6-dimethylthiomorpholin-3-yl)methanol.
What is the SMILES notation for (6,6-dimethylthiomorpholin-3-yl)methanol?
The canonical SMILES for (6,6-dimethylthiomorpholin-3-yl)methanol is CC1(C)CNC(CO)CS1.
What is the InChIKey of (6,6-dimethylthiomorpholin-3-yl)methanol?
The InChIKey is KOOCQTAKBNHSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(2)5-8-6(3-9)4-10-7/h6,8-9H,3-5H2,1-2H3.
What are the key properties of (6,6-dimethylthiomorpholin-3-yl)methanol?
(6,6-dimethylthiomorpholin-3-yl)methanol has a molecular weight of 161.27 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethylthiomorpholin-3-yl)methanol is sourced from PubChem (CID 53275715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).