N-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide

C12H23N3O2S — CID 54218924

IUPACN-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide
SMILESCOCCN(C=O)C1CCC(N(C)C(N)=S)CC1
InChIInChI=1S/C12H23N3O2S/c1-14(12(13)18)10-3-5-11(6-4-10)15(9-16)7-8-17-2/h9-11H,3-8H2,1-2H3,(H2,13,18)
InChIKeyQBDKSYFHNVPSFF-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.58
Rot. Bonds6

About N-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide

N-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide (PubChem CID 54218924) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide.

Molecular Properties

Compound NameN-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide
PubChem CID54218924
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide
SMILESCOCCN(C=O)C1CCC(N(C)C(N)=S)CC1
InChIInChI=1S/C12H23N3O2S/c1-14(12(13)18)10-3-5-11(6-4-10)15(9-16)7-8-17-2/h9-11H,3-8H2,1-2H3,(H2,13,18)
InChIKeyQBDKSYFHNVPSFF-UHFFFAOYSA-N
XLogP0.58
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide?
The IUPAC name of N-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide (CID 54218924) is N-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide.
What is the SMILES notation for N-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide?
The canonical SMILES for N-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide is COCCN(C=O)C1CCC(N(C)C(N)=S)CC1.
What is the InChIKey of N-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide?
The InChIKey is QBDKSYFHNVPSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-14(12(13)18)10-3-5-11(6-4-10)15(9-16)7-8-17-2/h9-11H,3-8H2,1-2H3,(H2,13,18).
What are the key properties of N-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide?
N-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide has a molecular weight of 273.40 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[carbamothioyl(methyl)amino]cyclohexyl]-N-(2-methoxyethyl)formamide is sourced from PubChem (CID 54218924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).