1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide

C10H19N3O3S2 — CID 106338824

IUPAC1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C10H19N3O3S2/c1-13(2)18(15,16)7-6-12-9(14)10(8(11)17)4-3-5-10/h3-7H2,1-2H3,(H2,11,17)(H,12,14)
InChIKeyPKYNYFYOPCQGBD-UHFFFAOYSA-N
MW293.41 g/mol
LogP-0.55
Rot. Bonds6

About 1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide

1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 106338824) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide
PubChem CID106338824
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC Name1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C10H19N3O3S2/c1-13(2)18(15,16)7-6-12-9(14)10(8(11)17)4-3-5-10/h3-7H2,1-2H3,(H2,11,17)(H,12,14)
InChIKeyPKYNYFYOPCQGBD-UHFFFAOYSA-N
XLogP-0.55
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]oxane-4-carboxamide
CID 106338837
1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 80592271
methyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate
CID 56874430
1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide
CID 80589183
N-[2-(dimethylsulfamoyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 106337546
1-carbamothioyl-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide
CID 80590145
1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 80589534
2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106338828
1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide
CID 114107998
2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate
CID 83203503
1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
CID 80592590
1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 80593420

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide (CID 106338824) is 1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide is CN(C)S(=O)(=O)CCNC(=O)C1(C(N)=S)CCC1.
What is the InChIKey of 1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is PKYNYFYOPCQGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-13(2)18(15,16)7-6-12-9(14)10(8(11)17)4-3-5-10/h3-7H2,1-2H3,(H2,11,17)(H,12,14).
What are the key properties of 1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide?
1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 106338824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).