3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one

C9H16N2OS — CID 127017116

IUPAC3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one
SMILESCC1CSCC1N1CCC(N)C1=O
InChIInChI=1S/C9H16N2OS/c1-6-4-13-5-8(6)11-3-2-7(10)9(11)12/h6-8H,2-5,10H2,1H3
InChIKeyYKJOZDNELHMWJE-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.30
Rot. Bonds1

About 3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one

3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one (PubChem CID 127017116) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one
PubChem CID127017116
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one
SMILESCC1CSCC1N1CCC(N)C1=O
InChIInChI=1S/C9H16N2OS/c1-6-4-13-5-8(6)11-3-2-7(10)9(11)12/h6-8H,2-5,10H2,1H3
InChIKeyYKJOZDNELHMWJE-UHFFFAOYSA-N
XLogP0.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one (CID 127017116) is 3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one is CC1CSCC1N1CCC(N)C1=O.
What is the InChIKey of 3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one?
The InChIKey is YKJOZDNELHMWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6-4-13-5-8(6)11-3-2-7(10)9(11)12/h6-8H,2-5,10H2,1H3.
What are the key properties of 3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one?
3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one has a molecular weight of 200.31 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 127017116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).