3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one

C10H18N2OS — CID 80585255

IUPAC3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one
SMILESCNC1CCN(CC2CCCS2)C1=O
InChIInChI=1S/C10H18N2OS/c1-11-9-4-5-12(10(9)13)7-8-3-2-6-14-8/h8-9,11H,2-7H2,1H3
InChIKeyBVVQWPQWFWMTMX-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.70
Rot. Bonds3

About 3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one

3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one (PubChem CID 80585255) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one
PubChem CID80585255
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one
SMILESCNC1CCN(CC2CCCS2)C1=O
InChIInChI=1S/C10H18N2OS/c1-11-9-4-5-12(10(9)13)7-8-3-2-6-14-8/h8-9,11H,2-7H2,1H3
InChIKeyBVVQWPQWFWMTMX-UHFFFAOYSA-N
XLogP0.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one (CID 80585255) is 3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one is CNC1CCN(CC2CCCS2)C1=O.
What is the InChIKey of 3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is BVVQWPQWFWMTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-11-9-4-5-12(10(9)13)7-8-3-2-6-14-8/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one?
3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 214.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 80585255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).