1-(1,1-dioxothiolan-3-yl)-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-oxopyrrolidine-3-carboxamide

C16H26N2O5S — CID 136513583

IUPAC1-(1,1-dioxothiolan-3-yl)-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOC1CC(NC(=O)C2CC(=O)N(C3CCS(=O)(=O)C3)C2)C1(C)C
InChIInChI=1S/C16H26N2O5S/c1-16(2)12(7-13(16)23-3)17-15(20)10-6-14(19)18(8-10)11-4-5-24(21,22)9-11/h10-13H,4-9H2,1-3H3,(H,17,20)
InChIKeyXBAZXXMFEDBTMM-UHFFFAOYSA-N
MW358.46 g/mol
LogP-0.05
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-oxopyrrolidine-3-carboxamide

1-(1,1-dioxothiolan-3-yl)-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 136513583) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID136513583
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOC1CC(NC(=O)C2CC(=O)N(C3CCS(=O)(=O)C3)C2)C1(C)C
InChIInChI=1S/C16H26N2O5S/c1-16(2)12(7-13(16)23-3)17-15(20)10-6-14(19)18(8-10)11-4-5-24(21,22)9-11/h10-13H,4-9H2,1-3H3,(H,17,20)
InChIKeyXBAZXXMFEDBTMM-UHFFFAOYSA-N
XLogP-0.05
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 110687491
1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 110411749
N-(2,4-dimethoxyphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184833
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 35439776
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 94177997
(3R)-N-(2-cyclopentylethyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 94022696
1-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113184750
1-(1,1-dioxothiolan-3-yl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184801
1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 47043626
(3R)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 124824222
N-(2,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184794
N-(2-tert-butylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184809

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-oxopyrrolidine-3-carboxamide (CID 136513583) is 1-(1,1-dioxothiolan-3-yl)-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-oxopyrrolidine-3-carboxamide is COC1CC(NC(=O)C2CC(=O)N(C3CCS(=O)(=O)C3)C2)C1(C)C.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XBAZXXMFEDBTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-16(2)12(7-13(16)23-3)17-15(20)10-6-14(19)18(8-10)11-4-5-24(21,22)9-11/h10-13H,4-9H2,1-3H3,(H,17,20).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-oxopyrrolidine-3-carboxamide?
1-(1,1-dioxothiolan-3-yl)-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136513583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).