2-methyl-3-pyrrolidin-2-ylthian-3-ol

C10H19NOS — CID 79951074

IUPAC2-methyl-3-pyrrolidin-2-ylthian-3-ol
SMILESCC1SCCCC1(O)C1CCCN1
InChIInChI=1S/C10H19NOS/c1-8-10(12,5-3-7-13-8)9-4-2-6-11-9/h8-9,11-12H,2-7H2,1H3
InChIKeyQPJXMEGYSANPHP-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.38
Rot. Bonds1

About 2-methyl-3-pyrrolidin-2-ylthian-3-ol

2-methyl-3-pyrrolidin-2-ylthian-3-ol (PubChem CID 79951074) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-methyl-3-pyrrolidin-2-ylthian-3-ol.

Molecular Properties

Compound Name2-methyl-3-pyrrolidin-2-ylthian-3-ol
PubChem CID79951074
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2-methyl-3-pyrrolidin-2-ylthian-3-ol
SMILESCC1SCCCC1(O)C1CCCN1
InChIInChI=1S/C10H19NOS/c1-8-10(12,5-3-7-13-8)9-4-2-6-11-9/h8-9,11-12H,2-7H2,1H3
InChIKeyQPJXMEGYSANPHP-UHFFFAOYSA-N
XLogP1.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrrolidin-2-ylthian-3-ol?
The IUPAC name of 2-methyl-3-pyrrolidin-2-ylthian-3-ol (CID 79951074) is 2-methyl-3-pyrrolidin-2-ylthian-3-ol.
What is the SMILES notation for 2-methyl-3-pyrrolidin-2-ylthian-3-ol?
The canonical SMILES for 2-methyl-3-pyrrolidin-2-ylthian-3-ol is CC1SCCCC1(O)C1CCCN1.
What is the InChIKey of 2-methyl-3-pyrrolidin-2-ylthian-3-ol?
The InChIKey is QPJXMEGYSANPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8-10(12,5-3-7-13-8)9-4-2-6-11-9/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 2-methyl-3-pyrrolidin-2-ylthian-3-ol?
2-methyl-3-pyrrolidin-2-ylthian-3-ol has a molecular weight of 201.33 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrrolidin-2-ylthian-3-ol is sourced from PubChem (CID 79951074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).