(3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide

C12H21N3O4S — CID 95271977

IUPAC(3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C12H21N3O4S/c1-9(16)13-10-3-2-5-15(7-10)12(17)14-11-4-6-20(18,19)8-11/h10-11H,2-8H2,1H3,(H,13,16)(H,14,17)/t10-,11-/m1/s1
InChIKeyALPLOVGPXNGVJD-GHMZBOCLSA-N
MW303.38 g/mol
LogP-0.52
Rot. Bonds2

About (3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide

(3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide (PubChem CID 95271977) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is (3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
PubChem CID95271977
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name(3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C12H21N3O4S/c1-9(16)13-10-3-2-5-15(7-10)12(17)14-11-4-6-20(18,19)8-11/h10-11H,2-8H2,1H3,(H,13,16)(H,14,17)/t10-,11-/m1/s1
InChIKeyALPLOVGPXNGVJD-GHMZBOCLSA-N
XLogP-0.52
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
CID 47127958
N-[(3S)-1,1-dioxothiolan-3-yl]azepane-1-carboxamide
CID 2424807
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide
CID 115629618
1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63138272
N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide
CID 86786884
N-(1,1-dioxothiolan-3-yl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 51083433
N-(1-prop-2-enoylpiperidin-3-yl)acetamide
CID 60949044
N-[1-(2,2-difluoroacetyl)piperidin-3-yl]acetamide
CID 103515094
4-acetamido-N-cyclopentylpiperidine-1-carboxamide
CID 49468459
(2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78923190
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide (CID 95271977) is (3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide is CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1.
What is the InChIKey of (3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide?
The InChIKey is ALPLOVGPXNGVJD-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-9(16)13-10-3-2-5-15(7-10)12(17)14-11-4-6-20(18,19)8-11/h10-11H,2-8H2,1H3,(H,13,16)(H,14,17)/t10-,11-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide?
(3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide has a molecular weight of 303.38 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 95271977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).