4-[1-(cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide

C17H27N3O3S — CID 135003321

IUPAC4-[1-(cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide
SMILESNC(=O)C1CSCC(=O)N1C1(C(=O)NC2CCCCC2)CCCC1
InChIInChI=1S/C17H27N3O3S/c18-15(22)13-10-24-11-14(21)20(13)17(8-4-5-9-17)16(23)19-12-6-2-1-3-7-12/h12-13H,1-11H2,(H2,18,22)(H,19,23)
InChIKeySBRBURPUPSHILF-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.18
Rot. Bonds4

About 4-[1-(cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide

4-[1-(cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide (PubChem CID 135003321) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 4-[1-(cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[1-(cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide
PubChem CID135003321
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name4-[1-(cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide
SMILESNC(=O)C1CSCC(=O)N1C1(C(=O)NC2CCCCC2)CCCC1
InChIInChI=1S/C17H27N3O3S/c18-15(22)13-10-24-11-14(21)20(13)17(8-4-5-9-17)16(23)19-12-6-2-1-3-7-12/h12-13H,1-11H2,(H2,18,22)(H,19,23)
InChIKeySBRBURPUPSHILF-UHFFFAOYSA-N
XLogP1.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,6S)-6-Butyl-1-cyclohexylmethyl-3-mercaptomethyl-piperazine-2,5-dione
CID 9857957
N-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 3522024
4-methyl-N-[1-{[2-(4-methylpiperidin-1-yl)ethyl]amino}-4-(methylsulfanyl)-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 16187658
N-propan-2-yl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide
CID 72103318
1-(cyclopentanecarbonyl)-N-(2-sulfanylethyl)piperidine-2-carboxamide
CID 177680417
1-(4-methylpiperazin-1-yl)-N-(2-sulfanylethyl)cyclopentane-1-carboxamide
CID 177680487
4-[1-(Butylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide
CID 135002030
4-[1-(Butylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide
CID 135002257
4-[1-(Cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide
CID 135003537
4-[1-(Cyclohexylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide
CID 135003772
4-[1-(Butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide
CID 135004267
8-Methyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 116627621

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of 4-[1-(cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide (CID 135003321) is 4-[1-(cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for 4-[1-(cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for 4-[1-(cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide is NC(=O)C1CSCC(=O)N1C1(C(=O)NC2CCCCC2)CCCC1.
What is the InChIKey of 4-[1-(cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide?
The InChIKey is SBRBURPUPSHILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c18-15(22)13-10-24-11-14(21)20(13)17(8-4-5-9-17)16(23)19-12-6-2-1-3-7-12/h12-13H,1-11H2,(H2,18,22)(H,19,23).
What are the key properties of 4-[1-(cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide?
4-[1-(cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 135003321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).