N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C15H20N2OS — CID 66477465

IUPACN-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2ccccc2C(N)=S)C1(C)C
InChIInChI=1S/C15H20N2OS/c1-14(2)11(15(14,3)4)13(18)17-10-8-6-5-7-9(10)12(16)19/h5-8,11H,1-4H3,(H2,16,19)(H,17,18)
InChIKeyNHRGDRXTEUGCFJ-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.94
Rot. Bonds3

About N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 66477465) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID66477465
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2ccccc2C(N)=S)C1(C)C
InChIInChI=1S/C15H20N2OS/c1-14(2)11(15(14,3)4)13(18)17-10-8-6-5-7-9(10)12(16)19/h5-8,11H,1-4H3,(H2,16,19)(H,17,18)
InChIKeyNHRGDRXTEUGCFJ-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamothioylphenyl)cyclopentanecarboxamide
CID 24703566
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 77115179
N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827308
N-(2-ethylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 71620607
N-(2-carbamothioylphenyl)-2-hydroxybenzamide
CID 24692803
N-(2-carbamothioylphenyl)oxolane-2-carboxamide
CID 24701220
N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081
N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide
CID 28538198
2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide
CID 39160595
N-(2-carbamothioylphenyl)-3,3,3-trifluoropropanamide
CID 24705607
N-(2-carbamothioylphenyl)pyridine-2-carboxamide
CID 24701542
N-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide
CID 63981248

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 66477465) is N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)Nc2ccccc2C(N)=S)C1(C)C.
What is the InChIKey of N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is NHRGDRXTEUGCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-14(2)11(15(14,3)4)13(18)17-10-8-6-5-7-9(10)12(16)19/h5-8,11H,1-4H3,(H2,16,19)(H,17,18).
What are the key properties of N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 276.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 66477465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).