[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone

C10H17NO2S — CID 81002095

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)N2CC[C@@H](O)C2)CCCS1
InChIInChI=1S/C10H17NO2S/c1-10(4-2-6-14-10)9(13)11-5-3-8(12)7-11/h8,12H,2-7H2,1H3/t8-,10?/m1/s1
InChIKeyCLIAMCLZCDZYRE-HNHGDDPOSA-N
MW215.32 g/mol
LogP0.87
Rot. Bonds1

About [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone (PubChem CID 81002095) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone
PubChem CID81002095
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)N2CC[C@@H](O)C2)CCCS1
InChIInChI=1S/C10H17NO2S/c1-10(4-2-6-14-10)9(13)11-5-3-8(12)7-11/h8,12H,2-7H2,1H3/t8-,10?/m1/s1
InChIKeyCLIAMCLZCDZYRE-HNHGDDPOSA-N
XLogP0.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone (CID 81002095) is [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone is CC1(C(=O)N2CC[C@@H](O)C2)CCCS1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone?
The InChIKey is CLIAMCLZCDZYRE-HNHGDDPOSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-10(4-2-6-14-10)9(13)11-5-3-8(12)7-11/h8,12H,2-7H2,1H3/t8-,10?/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone has a molecular weight of 215.32 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 81002095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).