2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C12H23N3O3S — CID 102977313

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)CN2CCC[C@@H](N)C2)CCS(=O)(=O)C1
InChIInChI=1S/C12H23N3O3S/c1-12(4-6-19(17,18)9-12)14-11(16)8-15-5-2-3-10(13)7-15/h10H,2-9,13H2,1H3,(H,14,16)/t10-,12?/m1/s1
InChIKeyVGSOBFXUZJSJMY-RWANSRKNSA-N
MW289.40 g/mol
LogP-0.90
Rot. Bonds3

About 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 102977313) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID102977313
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)CN2CCC[C@@H](N)C2)CCS(=O)(=O)C1
InChIInChI=1S/C12H23N3O3S/c1-12(4-6-19(17,18)9-12)14-11(16)8-15-5-2-3-10(13)7-15/h10H,2-9,13H2,1H3,(H,14,16)/t10-,12?/m1/s1
InChIKeyVGSOBFXUZJSJMY-RWANSRKNSA-N
XLogP-0.90
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754537
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 62014731
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 78942177
(3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 100858130
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 79112855
2-(1-aminocyclopentyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 64685407
3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119684491
2-(3-aminopiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 61296110
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
CID 30803881
2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 62817058
2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 102977545

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 102977313) is 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CC1(NC(=O)CN2CCC[C@@H](N)C2)CCS(=O)(=O)C1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is VGSOBFXUZJSJMY-RWANSRKNSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-12(4-6-19(17,18)9-12)14-11(16)8-15-5-2-3-10(13)7-15/h10H,2-9,13H2,1H3,(H,14,16)/t10-,12?/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 289.40 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 102977313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).