1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide

C14H25N3O2S — CID 80592759

IUPAC1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide
SMILESCC1CC(C(=O)NCCCN2CCOCC2)(C(N)=S)C1
InChIInChI=1S/C14H25N3O2S/c1-11-9-14(10-11,12(15)20)13(18)16-3-2-4-17-5-7-19-8-6-17/h11H,2-10H2,1H3,(H2,15,20)(H,16,18)
InChIKeyBBEHMYMACJQBDP-UHFFFAOYSA-N
MW299.44 g/mol
LogP0.53
Rot. Bonds6

About 1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide

1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide (PubChem CID 80592759) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide
PubChem CID80592759
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide
SMILESCC1CC(C(=O)NCCCN2CCOCC2)(C(N)=S)C1
InChIInChI=1S/C14H25N3O2S/c1-11-9-14(10-11,12(15)20)13(18)16-3-2-4-17-5-7-19-8-6-17/h11H,2-10H2,1H3,(H2,15,20)(H,16,18)
InChIKeyBBEHMYMACJQBDP-UHFFFAOYSA-N
XLogP0.53
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-5-oxopentyl)-1-carbamothioyl-3-methylcyclobutane-1-carboxamide
CID 114162224
1-carbamothioyl-N-(2-ethylsulfinylethyl)-3-methylcyclobutane-1-carboxamide
CID 113494787
1-carbamothioyl-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide
CID 80589627
2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide
CID 173284706
1-carbamothioyl-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide
CID 106023710
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108504537
1-amino-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 64548791
7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834323
7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834163
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide (CID 80592759) is 1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide is CC1CC(C(=O)NCCCN2CCOCC2)(C(N)=S)C1.
What is the InChIKey of 1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide?
The InChIKey is BBEHMYMACJQBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11-9-14(10-11,12(15)20)13(18)16-3-2-4-17-5-7-19-8-6-17/h11H,2-10H2,1H3,(H2,15,20)(H,16,18).
What are the key properties of 1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide?
1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80592759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).