N-cyclohexyl-2-(1,1-dioxothiolan-3-yl)acetamide

C12H21NO3S — CID 3242717

IUPACN-cyclohexyl-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NC1CCCCC1
InChIInChI=1S/C12H21NO3S/c14-12(13-11-4-2-1-3-5-11)8-10-6-7-17(15,16)9-10/h10-11H,1-9H2,(H,13,14)
InChIKeyOFDYVTXDRIAFPO-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.26
Rot. Bonds3

About N-cyclohexyl-2-(1,1-dioxothiolan-3-yl)acetamide

N-cyclohexyl-2-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 3242717) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID3242717
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC NameN-cyclohexyl-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NC1CCCCC1
InChIInChI=1S/C12H21NO3S/c14-12(13-11-4-2-1-3-5-11)8-10-6-7-17(15,16)9-10/h10-11H,1-9H2,(H,13,14)
InChIKeyOFDYVTXDRIAFPO-UHFFFAOYSA-N
XLogP1.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(1,1-dioxothiolan-3-yl)acetamide (CID 3242717) is N-cyclohexyl-2-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(1,1-dioxothiolan-3-yl)acetamide is O=C(CC1CCS(=O)(=O)C1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is OFDYVTXDRIAFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c14-12(13-11-4-2-1-3-5-11)8-10-6-7-17(15,16)9-10/h10-11H,1-9H2,(H,13,14).
What are the key properties of N-cyclohexyl-2-(1,1-dioxothiolan-3-yl)acetamide?
N-cyclohexyl-2-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 259.37 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 3242717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).