2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide

C16H26N2O4S — CID 109138181

IUPAC2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NC1CCCCCC1)C1CC1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H26N2O4S/c19-15(17-11-5-3-1-2-4-6-11)13-9-14(13)16(20)18-12-7-8-23(21,22)10-12/h11-14H,1-10H2,(H,17,19)(H,18,20)
InChIKeyFFZIAHSRFOCNIP-UHFFFAOYSA-N
MW342.46 g/mol
LogP0.76
Rot. Bonds4

About 2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide

2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide (PubChem CID 109138181) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
PubChem CID109138181
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NC1CCCCCC1)C1CC1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H26N2O4S/c19-15(17-11-5-3-1-2-4-6-11)13-9-14(13)16(20)18-12-7-8-23(21,22)10-12/h11-14H,1-10H2,(H,17,19)(H,18,20)
InChIKeyFFZIAHSRFOCNIP-UHFFFAOYSA-N
XLogP0.76
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
(1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98205718
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
CID 4638930
N-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133302
N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108526860
N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 55024086
N-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioyl]cyclohexanecarboxamide
CID 42546178
N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 43179464
1-N-(2,6-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138202
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide (CID 109138181) is 2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide is O=C(NC1CCCCCC1)C1CC1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide?
The InChIKey is FFZIAHSRFOCNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c19-15(17-11-5-3-1-2-4-6-11)13-9-14(13)16(20)18-12-7-8-23(21,22)10-12/h11-14H,1-10H2,(H,17,19)(H,18,20).
What are the key properties of 2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide?
2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide has a molecular weight of 342.46 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109138181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).