1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide

C15H26N2O2S — CID 102743896

IUPAC1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide
SMILESCC1(C)CN(C(=O)C2(C(N)=S)CCCC2)CC(C)(C)O1
InChIInChI=1S/C15H26N2O2S/c1-13(2)9-17(10-14(3,4)19-13)12(18)15(11(16)20)7-5-6-8-15/h5-10H2,1-4H3,(H2,16,20)
InChIKeyYXKNOTUCTJEPMX-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.25
Rot. Bonds2

About 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide

1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide (PubChem CID 102743896) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide
PubChem CID102743896
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide
SMILESCC1(C)CN(C(=O)C2(C(N)=S)CCCC2)CC(C)(C)O1
InChIInChI=1S/C15H26N2O2S/c1-13(2)9-17(10-14(3,4)19-13)12(18)15(11(16)20)7-5-6-8-15/h5-10H2,1-4H3,(H2,16,20)
InChIKeyYXKNOTUCTJEPMX-UHFFFAOYSA-N
XLogP2.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.25
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

1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide
CID 126980533
1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide
CID 107392678
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbonitrile
CID 102738630
1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide
CID 103356137
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cyclopentane-1-carbothioamide
CID 113335705
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 102737709
1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclobutane-1-carbothioamide
CID 114536931
4-(4,4-dimethylazepane-1-carbonyl)oxane-4-carbothioamide
CID 65281063
1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide
CID 62205619
1-(1,3-dihydroisoindole-2-carbonyl)cycloheptane-1-carbothioamide
CID 62230328
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclobutane-1-carbothioamide
CID 80591206
1-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclobutane-1-carbothioamide
CID 80589264

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide (CID 102743896) is 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide is CC1(C)CN(C(=O)C2(C(N)=S)CCCC2)CC(C)(C)O1.
What is the InChIKey of 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide?
The InChIKey is YXKNOTUCTJEPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-13(2)9-17(10-14(3,4)19-13)12(18)15(11(16)20)7-5-6-8-15/h5-10H2,1-4H3,(H2,16,20).
What are the key properties of 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide?
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide has a molecular weight of 298.45 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide is sourced from PubChem (CID 102743896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).