2-[[methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-one

C11H19NOS — CID 62613518

IUPAC2-[[methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-one
SMILESCN(CC1CCCC1=O)C1CCSC1
InChIInChI=1S/C11H19NOS/c1-12(10-5-6-14-8-10)7-9-3-2-4-11(9)13/h9-10H,2-8H2,1H3
InChIKeyJAHRCNGFMOVWSJ-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.79
Rot. Bonds3

About 2-[[methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-one

2-[[methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-one (PubChem CID 62613518) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-[[methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-one
PubChem CID62613518
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-[[methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-one
SMILESCN(CC1CCCC1=O)C1CCSC1
InChIInChI=1S/C11H19NOS/c1-12(10-5-6-14-8-10)7-9-3-2-4-11(9)13/h9-10H,2-8H2,1H3
InChIKeyJAHRCNGFMOVWSJ-UHFFFAOYSA-N
XLogP1.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-one (CID 62613518) is 2-[[methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-one is CN(CC1CCCC1=O)C1CCSC1.
What is the InChIKey of 2-[[methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-one?
The InChIKey is JAHRCNGFMOVWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-12(10-5-6-14-8-10)7-9-3-2-4-11(9)13/h9-10H,2-8H2,1H3.
What are the key properties of 2-[[methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-one?
2-[[methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-one has a molecular weight of 213.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-one is sourced from PubChem (CID 62613518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).