3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol

C9H19NOS — CID 115683609

IUPAC3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol
SMILESCC1(C)CN(CCCO)CCS1
InChIInChI=1S/C9H19NOS/c1-9(2)8-10(4-3-6-11)5-7-12-9/h11H,3-8H2,1-2H3
InChIKeyZSROEHYMSGJTBA-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.20
Rot. Bonds3

About 3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol

3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol (PubChem CID 115683609) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol
PubChem CID115683609
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol
SMILESCC1(C)CN(CCCO)CCS1
InChIInChI=1S/C9H19NOS/c1-9(2)8-10(4-3-6-11)5-7-12-9/h11H,3-8H2,1-2H3
InChIKeyZSROEHYMSGJTBA-UHFFFAOYSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol?
The IUPAC name of 3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol (CID 115683609) is 3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol.
What is the SMILES notation for 3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol?
The canonical SMILES for 3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol is CC1(C)CN(CCCO)CCS1.
What is the InChIKey of 3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol?
The InChIKey is ZSROEHYMSGJTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-9(2)8-10(4-3-6-11)5-7-12-9/h11H,3-8H2,1-2H3.
What are the key properties of 3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol?
3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylthiomorpholin-4-yl)propan-1-ol is sourced from PubChem (CID 115683609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).