4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide

C13H22N2O2S — CID 79674134

IUPAC4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(C(=O)CCC2CCCC2)CCO1
InChIInChI=1S/C13H22N2O2S/c14-13(18)11-9-15(7-8-17-11)12(16)6-5-10-3-1-2-4-10/h10-11H,1-9H2,(H2,14,18)
InChIKeyALODDHBQDPTZAF-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.47
Rot. Bonds4

About 4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide

4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide (PubChem CID 79674134) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide
PubChem CID79674134
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(C(=O)CCC2CCCC2)CCO1
InChIInChI=1S/C13H22N2O2S/c14-13(18)11-9-15(7-8-17-11)12(16)6-5-10-3-1-2-4-10/h10-11H,1-9H2,(H2,14,18)
InChIKeyALODDHBQDPTZAF-UHFFFAOYSA-N
XLogP1.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid
CID 129397543
4-(4-methylpentanoyl)morpholine-2-carbothioamide
CID 79674672
4-[2-(3-cyclopentylpropanoylamino)acetyl]morpholine-2-carboxylic acid
CID 119239938
4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile
CID 78945630
4-(cyclobutanecarbonyl)morpholine-2-carbothioamide
CID 79674396
4-[3-(furan-2-yl)propanoyl]morpholine-2-carbothioamide
CID 79674928
4-(thiane-2-carbonyl)morpholine-2-carbothioamide
CID 80594270
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
CID 157012991
3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one
CID 121134464
3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one
CID 55116609
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide (CID 79674134) is 4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide is NC(=S)C1CN(C(=O)CCC2CCCC2)CCO1.
What is the InChIKey of 4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide?
The InChIKey is ALODDHBQDPTZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c14-13(18)11-9-15(7-8-17-11)12(16)6-5-10-3-1-2-4-10/h10-11H,1-9H2,(H2,14,18).
What are the key properties of 4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide?
4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide has a molecular weight of 270.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide is sourced from PubChem (CID 79674134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).