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

C12H21NO3S — CID 3899063

IUPAC2-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCCCC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO3S/c14-12(8-10-4-2-1-3-5-10)13-11-6-7-17(15,16)9-11/h10-11H,1-9H2,(H,13,14)
InChIKeyPJCFKPQXVUMSHE-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.26
Rot. Bonds3

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

2-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 3899063) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID3899063
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name2-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCCCC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO3S/c14-12(8-10-4-2-1-3-5-10)13-11-6-7-17(15,16)9-11/h10-11H,1-9H2,(H,13,14)
InChIKeyPJCFKPQXVUMSHE-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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Related Compounds

N-(2-oxotetrahydrothiophen-3-yl)cyclohexanecarboxamide
CID 3148029
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-(2-methylpropyl)cyclohexanecarboxamide
CID 16269005
N-(1,1-dioxothiolan-3-yl)adamantane-1-carboxamide
CID 2729769
N-(1,1-dioxothiolan-3-yl)dodecanamide
CID 244136
4-butyl-N-(1,1-dioxidotetrahydro-3-thienyl)cyclohexanecarboxamide
CID 2964618
cyclohexyl-N-(1-hydroxy-3-methyl-1-oxothiolan-3-yl)carboxamide
CID 3601722
N-(1,1-dioxothiolan-3-yl)adamantane-2-carboxamide
CID 4537953
2-(1,1-dioxothiolan-3-yl)-N-cyclohexylacetamide
CID 3242717
N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide
CID 16269011
N-(1,1-dioxothiolan-3-yl)-N-methylcyclohexanecarboxamide
CID 18573529
Cambridge id 6317167
CID 3781083
3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide
CID 16258599

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide (CID 3899063) is 2-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(CC1CCCCC1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is PJCFKPQXVUMSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c14-12(8-10-4-2-1-3-5-10)13-11-6-7-17(15,16)9-11/h10-11H,1-9H2,(H,13,14).
What are the key properties of 2-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
2-cyclohexyl-N-(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 2-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 3899063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).