3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one

C10H18N2OS — CID 131062299

IUPAC3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one
SMILESCC1CC(N2CCCC(N)C2=O)CS1
InChIInChI=1S/C10H18N2OS/c1-7-5-8(6-14-7)12-4-2-3-9(11)10(12)13/h7-9H,2-6,11H2,1H3
InChIKeyNYZBDZFAIXRRQS-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.83
Rot. Bonds1

About 3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one

3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one (PubChem CID 131062299) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one
PubChem CID131062299
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one
SMILESCC1CC(N2CCCC(N)C2=O)CS1
InChIInChI=1S/C10H18N2OS/c1-7-5-8(6-14-7)12-4-2-3-9(11)10(12)13/h7-9H,2-6,11H2,1H3
InChIKeyNYZBDZFAIXRRQS-UHFFFAOYSA-N
XLogP0.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-methylthiolan-3-yl)piperidin-2-one
CID 130825799
6-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 117273495
3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one
CID 64732496
(2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 124680679
1-(5-methylthiolan-3-yl)piperidin-4-amine
CID 79950607
(3R)-3-amino-1-cyclobutylpyrrolidin-2-one
CID 94423916
3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one
CID 83039430
1-(5-methylthiolan-3-yl)pyrrolidin-2-imine
CID 131000652
3-amino-1-(4-methylthiolan-3-yl)pyrrolidin-2-one
CID 127017116
(3S)-3-amino-1-methylpiperidin-2-one
CID 67416126
3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one
CID 130987434
4-amino-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazepin-5-one
CID 146158050

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one?
The IUPAC name of 3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one (CID 131062299) is 3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one.
What is the SMILES notation for 3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one?
The canonical SMILES for 3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one is CC1CC(N2CCCC(N)C2=O)CS1.
What is the InChIKey of 3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one?
The InChIKey is NYZBDZFAIXRRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7-5-8(6-14-7)12-4-2-3-9(11)10(12)13/h7-9H,2-6,11H2,1H3.
What are the key properties of 3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one?
3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one has a molecular weight of 214.33 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one is sourced from PubChem (CID 131062299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).