1-methyl-3-(thian-4-yl)pyrrolidin-3-ol

C10H19NOS — CID 83686698

IUPAC1-methyl-3-(thian-4-yl)pyrrolidin-3-ol
SMILESCN1CCC(O)(C2CCSCC2)C1
InChIInChI=1S/C10H19NOS/c1-11-5-4-10(12,8-11)9-2-6-13-7-3-9/h9,12H,2-8H2,1H3
InChIKeyKIGYRJOIGXXGLZ-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.20
Rot. Bonds1

About 1-methyl-3-(thian-4-yl)pyrrolidin-3-ol

1-methyl-3-(thian-4-yl)pyrrolidin-3-ol (PubChem CID 83686698) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-methyl-3-(thian-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-(thian-4-yl)pyrrolidin-3-ol
PubChem CID83686698
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-methyl-3-(thian-4-yl)pyrrolidin-3-ol
SMILESCN1CCC(O)(C2CCSCC2)C1
InChIInChI=1S/C10H19NOS/c1-11-5-4-10(12,8-11)9-2-6-13-7-3-9/h9,12H,2-8H2,1H3
InChIKeyKIGYRJOIGXXGLZ-UHFFFAOYSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(thian-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-(thian-4-yl)pyrrolidin-3-ol (CID 83686698) is 1-methyl-3-(thian-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-(thian-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-(thian-4-yl)pyrrolidin-3-ol is CN1CCC(O)(C2CCSCC2)C1.
What is the InChIKey of 1-methyl-3-(thian-4-yl)pyrrolidin-3-ol?
The InChIKey is KIGYRJOIGXXGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-11-5-4-10(12,8-11)9-2-6-13-7-3-9/h9,12H,2-8H2,1H3.
What are the key properties of 1-methyl-3-(thian-4-yl)pyrrolidin-3-ol?
1-methyl-3-(thian-4-yl)pyrrolidin-3-ol has a molecular weight of 201.33 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(thian-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 83686698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).