N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide

C15H14N2OS — CID 916713

IUPACN-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide
SMILESO=C(NC(=S)Nc1cccc2ccccc12)C1CC1
InChIInChI=1S/C15H14N2OS/c18-14(11-8-9-11)17-15(19)16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2,(H2,16,17,18,19)
InChIKeyJCMPXNKQVJKZKS-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.06
Rot. Bonds2

About N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide

N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide (PubChem CID 916713) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide
PubChem CID916713
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide
SMILESO=C(NC(=S)Nc1cccc2ccccc12)C1CC1
InChIInChI=1S/C15H14N2OS/c18-14(11-8-9-11)17-15(19)16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2,(H2,16,17,18,19)
InChIKeyJCMPXNKQVJKZKS-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.06
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-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide
CID 2396710
2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 54786425
N-(naphthalen-1-ylcarbamothioyl)butanamide
CID 916625
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide
CID 797213
3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549777
N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 17087162
N-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide
CID 110191073
N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 804772
2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide
CID 4577510
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
N-(naphthalen-1-ylcarbamothioyl)undecanamide
CID 166518646

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide?
The IUPAC name of N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide (CID 916713) is N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide?
The canonical SMILES for N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide is O=C(NC(=S)Nc1cccc2ccccc12)C1CC1.
What is the InChIKey of N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide?
The InChIKey is JCMPXNKQVJKZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-14(11-8-9-11)17-15(19)16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2,(H2,16,17,18,19).
What are the key properties of N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide?
N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide has a molecular weight of 270.36 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide is sourced from PubChem (CID 916713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).