N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]thiophene-2-carboxamide

C14H18N2OS2 — CID 833387

IUPACN-[2-(cyclohexen-1-yl)ethylcarbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)NCCC1=CCCCC1)c1cccs1
InChIInChI=1S/C14H18N2OS2/c17-13(12-7-4-10-19-12)16-14(18)15-9-8-11-5-2-1-3-6-11/h4-5,7,10H,1-3,6,8-9H2,(H2,15,16,17,18)
InChIKeyCWWNYWYZTBPMIW-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.24
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]thiophene-2-carboxamide

N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]thiophene-2-carboxamide (PubChem CID 833387) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethylcarbamothioyl]thiophene-2-carboxamide
PubChem CID833387
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC NameN-[2-(cyclohexen-1-yl)ethylcarbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)NCCC1=CCCCC1)c1cccs1
InChIInChI=1S/C14H18N2OS2/c17-13(12-7-4-10-19-12)16-14(18)15-9-8-11-5-2-1-3-6-11/h4-5,7,10H,1-3,6,8-9H2,(H2,15,16,17,18)
InChIKeyCWWNYWYZTBPMIW-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]thiophene-2-carboxamide (CID 833387) is N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]thiophene-2-carboxamide is O=C(NC(=S)NCCC1=CCCCC1)c1cccs1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]thiophene-2-carboxamide?
The InChIKey is CWWNYWYZTBPMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c17-13(12-7-4-10-19-12)16-14(18)15-9-8-11-5-2-1-3-6-11/h4-5,7,10H,1-3,6,8-9H2,(H2,15,16,17,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]thiophene-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]thiophene-2-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 833387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).