(1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide

C12H19NO3S — CID 98205718

IUPAC(1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)C1[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C12H19NO3S/c14-12(11-9-3-1-2-4-10(9)11)13-8-5-6-17(15,16)7-8/h8-11H,1-7H2,(H,13,14)/t8-,9-,10-/m1/s1
InChIKeyALOWQRYHNLEOME-OPRDCNLKSA-N
MW257.35 g/mol
LogP0.73
Rot. Bonds2

About (1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide

(1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 98205718) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is (1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID98205718
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name(1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)C1[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C12H19NO3S/c14-12(11-9-3-1-2-4-10(9)11)13-8-5-6-17(15,16)7-8/h8-11H,1-7H2,(H,13,14)/t8-,9-,10-/m1/s1
InChIKeyALOWQRYHNLEOME-OPRDCNLKSA-N
XLogP0.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide with MolForge

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Related Compounds

2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138181
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
N-cyclohexylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600191
N-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioyl]cyclohexanecarboxamide
CID 42546178
(1R,2S,3R,4R)-3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98042845
N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108526860
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
N-(1,1-dioxothiolan-3-yl)carbamoyl iodide
CID 126633838
methyl N-(1,1-dioxothiolan-3-yl)carbamate
CID 2999519
N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
CID 47127958
N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide
CID 55059944

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide (CID 98205718) is (1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide is O=C(N[C@@H]1CCS(=O)(=O)C1)C1[C@@H]2CCCC[C@@H]12.
What is the InChIKey of (1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is ALOWQRYHNLEOME-OPRDCNLKSA-N. The full InChI is InChI=1S/C12H19NO3S/c14-12(11-9-3-1-2-4-10(9)11)13-8-5-6-17(15,16)7-8/h8-11H,1-7H2,(H,13,14)/t8-,9-,10-/m1/s1.
What are the key properties of (1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide?
(1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 257.35 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 98205718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).