1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide

C12H21N3OS — CID 80589183

IUPAC1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide
SMILESCN(CCNC(=O)C1(C(N)=S)CCC1)C1CC1
InChIInChI=1S/C12H21N3OS/c1-15(9-3-4-9)8-7-14-11(16)12(10(13)17)5-2-6-12/h9H,2-8H2,1H3,(H2,13,17)(H,14,16)
InChIKeyVETALSHBGDYLCG-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.65
Rot. Bonds6

About 1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide

1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide (PubChem CID 80589183) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide
PubChem CID80589183
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide
SMILESCN(CCNC(=O)C1(C(N)=S)CCC1)C1CC1
InChIInChI=1S/C12H21N3OS/c1-15(9-3-4-9)8-7-14-11(16)12(10(13)17)5-2-6-12/h9H,2-8H2,1H3,(H2,13,17)(H,14,16)
InChIKeyVETALSHBGDYLCG-UHFFFAOYSA-N
XLogP0.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.65
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-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 80592271
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80596682
1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 80589534
1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide
CID 106338824
1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
CID 80592590
2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 79854308
1-carbamothioyl-N-[(2-methylcyclopentyl)methyl]cyclobutane-1-carboxamide
CID 107418708
1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119878774
2-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbutanamide
CID 55139681
4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
CID 120940109
1-carbamothioyl-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide
CID 80590145
1-carbamothioyl-N-(2,2-dicyclopropylethyl)cyclobutane-1-carboxamide
CID 80590816

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide (CID 80589183) is 1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide is CN(CCNC(=O)C1(C(N)=S)CCC1)C1CC1.
What is the InChIKey of 1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide?
The InChIKey is VETALSHBGDYLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-15(9-3-4-9)8-7-14-11(16)12(10(13)17)5-2-6-12/h9H,2-8H2,1H3,(H2,13,17)(H,14,16).
What are the key properties of 1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide?
1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide has a molecular weight of 255.39 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 80589183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).