5,5-dimethyl-3-pyrrolidin-2-ylthian-3-ol

C11H21NOS — CID 79947105

IUPAC5,5-dimethyl-3-pyrrolidin-2-ylthian-3-ol
SMILESCC1(C)CSCC(O)(C2CCCN2)C1
InChIInChI=1S/C11H21NOS/c1-10(2)6-11(13,8-14-7-10)9-4-3-5-12-9/h9,12-13H,3-8H2,1-2H3
InChIKeyOCODUAHAAUUUJJ-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.63
Rot. Bonds1

About 5,5-dimethyl-3-pyrrolidin-2-ylthian-3-ol

5,5-dimethyl-3-pyrrolidin-2-ylthian-3-ol (PubChem CID 79947105) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-pyrrolidin-2-ylthian-3-ol.

Molecular Properties

Compound Name5,5-dimethyl-3-pyrrolidin-2-ylthian-3-ol
PubChem CID79947105
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name5,5-dimethyl-3-pyrrolidin-2-ylthian-3-ol
SMILESCC1(C)CSCC(O)(C2CCCN2)C1
InChIInChI=1S/C11H21NOS/c1-10(2)6-11(13,8-14-7-10)9-4-3-5-12-9/h9,12-13H,3-8H2,1-2H3
InChIKeyOCODUAHAAUUUJJ-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-pyrrolidin-2-ylthian-3-ol?
The IUPAC name of 5,5-dimethyl-3-pyrrolidin-2-ylthian-3-ol (CID 79947105) is 5,5-dimethyl-3-pyrrolidin-2-ylthian-3-ol.
What is the SMILES notation for 5,5-dimethyl-3-pyrrolidin-2-ylthian-3-ol?
The canonical SMILES for 5,5-dimethyl-3-pyrrolidin-2-ylthian-3-ol is CC1(C)CSCC(O)(C2CCCN2)C1.
What is the InChIKey of 5,5-dimethyl-3-pyrrolidin-2-ylthian-3-ol?
The InChIKey is OCODUAHAAUUUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-10(2)6-11(13,8-14-7-10)9-4-3-5-12-9/h9,12-13H,3-8H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-pyrrolidin-2-ylthian-3-ol?
5,5-dimethyl-3-pyrrolidin-2-ylthian-3-ol has a molecular weight of 215.36 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-pyrrolidin-2-ylthian-3-ol is sourced from PubChem (CID 79947105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).