1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide

C14H20N2OS2 — CID 80589308

IUPAC1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
SMILESCCCC(NC(=O)C1(C(N)=S)CCC1)c1cccs1
InChIInChI=1S/C14H20N2OS2/c1-2-5-10(11-6-3-9-19-11)16-13(17)14(12(15)18)7-4-8-14/h3,6,9-10H,2,4-5,7-8H2,1H3,(H2,15,18)(H,16,17)
InChIKeyPEUWUDXYIYMHOH-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.16
Rot. Bonds6

About 1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide

1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide (PubChem CID 80589308) has the molecular formula C14H20N2OS2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
PubChem CID80589308
Molecular FormulaC14H20N2OS2
Molecular Weight296.46 g/mol
Exact Mass296.10
IUPAC Name1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
SMILESCCCC(NC(=O)C1(C(N)=S)CCC1)c1cccs1
InChIInChI=1S/C14H20N2OS2/c1-2-5-10(11-6-3-9-19-11)16-13(17)14(12(15)18)7-4-8-14/h3,6,9-10H,2,4-5,7-8H2,1H3,(H2,15,18)(H,16,17)
InChIKeyPEUWUDXYIYMHOH-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-(1-thiophen-2-ylbutyl)cyclopentane-1-carboxamide
CID 115435212
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
CID 80589392
1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide
CID 115441973
2-[1-(1-thiophen-2-ylbutylcarbamoylamino)cyclobutyl]acetic acid
CID 79842245
1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096618
1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
CID 80599692
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
3-amino-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide
CID 63045756
2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide
CID 102611497
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide (CID 80589308) is 1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide is CCCC(NC(=O)C1(C(N)=S)CCC1)c1cccs1.
What is the InChIKey of 1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide?
The InChIKey is PEUWUDXYIYMHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS2/c1-2-5-10(11-6-3-9-19-11)16-13(17)14(12(15)18)7-4-8-14/h3,6,9-10H,2,4-5,7-8H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide?
1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80589308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).