1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide

C13H18N2OS2 — CID 80588942

IUPAC1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C13H18N2OS2/c1-9(7-10-3-6-18-8-10)15-12(16)13(11(14)17)4-2-5-13/h3,6,8-9H,2,4-5,7H2,1H3,(H2,14,17)(H,15,16)
InChIKeySTROPIDVEWJWOM-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.25
Rot. Bonds5

About 1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide

1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide (PubChem CID 80588942) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
PubChem CID80588942
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC Name1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C13H18N2OS2/c1-9(7-10-3-6-18-8-10)15-12(16)13(11(14)17)4-2-5-13/h3,6,8-9H,2,4-5,7H2,1H3,(H2,14,17)(H,15,16)
InChIKeySTROPIDVEWJWOM-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.25
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

2-(1-aminocyclobutyl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 79853944
1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 78994589
2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 81168869
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 55165732
1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 64553804
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742
1-carbamothioyl-N-hexan-2-ylcyclobutane-1-carboxamide
CID 80589844
2-piperidin-3-yl-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 62676356
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide
CID 54954197
1-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclopentan-1-amine
CID 115916005

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide (CID 80588942) is 1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide is CC(Cc1ccsc1)NC(=O)C1(C(N)=S)CCC1.
What is the InChIKey of 1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is STROPIDVEWJWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-9(7-10-3-6-18-8-10)15-12(16)13(11(14)17)4-2-5-13/h3,6,8-9H,2,4-5,7H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide?
1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.25, 5 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-3-ylpropan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80588942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).