1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide

C14H18N2OS — CID 80590171

IUPAC1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2(C(N)=S)CC2)cc1
InChIInChI=1S/C14H18N2OS/c1-9-3-5-11(6-4-9)10(2)16-13(17)14(7-8-14)12(15)18/h3-6,10H,7-8H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyAWNNZGRFSRLNFS-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.24
Rot. Bonds4

About 1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide

1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 80590171) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID80590171
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2(C(N)=S)CC2)cc1
InChIInChI=1S/C14H18N2OS/c1-9-3-5-11(6-4-9)10(2)16-13(17)14(7-8-14)12(15)18/h3-6,10H,7-8H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyAWNNZGRFSRLNFS-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.24
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

1-carbamothioyl-N-[1-(4-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 80589221
1-carbamothioyl-3-methyl-N-[1-(4-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 80588951
N-[1-(3-bromophenyl)ethyl]-1-carbamothioylcyclopropane-1-carboxamide
CID 80589225
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
CID 68623726
1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 80592521
N'-[1-(4-methylphenyl)ethyl]oxamide
CID 69272528
1-carbamothioyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 106281487
1-[1-(4-chlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095918
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide
CID 106345625
1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
CID 80589392
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81348727

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide (CID 80590171) is 1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide is Cc1ccc(C(C)NC(=O)C2(C(N)=S)CC2)cc1.
What is the InChIKey of 1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is AWNNZGRFSRLNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-3-5-11(6-4-9)10(2)16-13(17)14(7-8-14)12(15)18/h3-6,10H,7-8H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide?
1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80590171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).