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

C15H25N3O3S — CID 135004267

IUPAC4-[1-(butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide
SMILESCCCCNC(=O)C1(N2C(=O)CSCC2C(N)=O)CCCC1
InChIInChI=1S/C15H25N3O3S/c1-2-3-8-17-14(21)15(6-4-5-7-15)18-11(13(16)20)9-22-10-12(18)19/h11H,2-10H2,1H3,(H2,16,20)(H,17,21)
InChIKeySARSAHKBMSHXOM-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.64
Rot. Bonds6

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

4-[1-(butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide (PubChem CID 135004267) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-[1-(butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[1-(butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide
PubChem CID135004267
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name4-[1-(butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide
SMILESCCCCNC(=O)C1(N2C(=O)CSCC2C(N)=O)CCCC1
InChIInChI=1S/C15H25N3O3S/c1-2-3-8-17-14(21)15(6-4-5-7-15)18-11(13(16)20)9-22-10-12(18)19/h11H,2-10H2,1H3,(H2,16,20)(H,17,21)
InChIKeySARSAHKBMSHXOM-UHFFFAOYSA-N
XLogP0.64
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of 4-[1-(butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide (CID 135004267) is 4-[1-(butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for 4-[1-(butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for 4-[1-(butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide is CCCCNC(=O)C1(N2C(=O)CSCC2C(N)=O)CCCC1.
What is the InChIKey of 4-[1-(butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide?
The InChIKey is SARSAHKBMSHXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-2-3-8-17-14(21)15(6-4-5-7-15)18-11(13(16)20)9-22-10-12(18)19/h11H,2-10H2,1H3,(H2,16,20)(H,17,21).
What are the key properties of 4-[1-(butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide?
4-[1-(butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 135004267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).