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

C10H19N3OS — CID 80592271

IUPAC1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
SMILESCN(C)CCNC(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C10H19N3OS/c1-13(2)7-6-12-9(14)10(8(11)15)4-3-5-10/h3-7H2,1-2H3,(H2,11,15)(H,12,14)
InChIKeyWBABCFJEXYFDMH-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.12
Rot. Bonds5

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

1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide (PubChem CID 80592271) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
PubChem CID80592271
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
SMILESCN(C)CCNC(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C10H19N3OS/c1-13(2)7-6-12-9(14)10(8(11)15)4-3-5-10/h3-7H2,1-2H3,(H2,11,15)(H,12,14)
InChIKeyWBABCFJEXYFDMH-UHFFFAOYSA-N
XLogP0.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.12
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-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide
CID 80589183
1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide
CID 106338824
1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
CID 80592590
1-carbamothioyl-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide
CID 80590145
1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 80589534
1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide
CID 114107998
2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate
CID 83203503
1-carbamothioyl-N-pentylcyclopropane-1-carboxamide
CID 80592483
1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 80593420
1-carbamothioyl-N-[(4-methyloxan-4-yl)methyl]cyclobutane-1-carboxamide
CID 114125500
1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide
CID 113494789
N-[2-(dimethylamino)ethyl]-1-methylcyclopentane-1-carboxamide;ethane
CID 142896714

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide (CID 80592271) is 1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide is CN(C)CCNC(=O)C1(C(N)=S)CCC1.
What is the InChIKey of 1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide?
The InChIKey is WBABCFJEXYFDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-13(2)7-6-12-9(14)10(8(11)15)4-3-5-10/h3-7H2,1-2H3,(H2,11,15)(H,12,14).
What are the key properties of 1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide?
1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide has a molecular weight of 229.35 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 80592271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).