N-[2-[(4-methylcyclohexyl)amino]ethyl]thiophene-2-carboxamide

C14H22N2OS — CID 3156892

IUPACN-[2-[(4-methylcyclohexyl)amino]ethyl]thiophene-2-carboxamide
SMILESCC1CCC(NCCNC(=O)c2cccs2)CC1
InChIInChI=1S/C14H22N2OS/c1-11-4-6-12(7-5-11)15-8-9-16-14(17)13-3-2-10-18-13/h2-3,10-12,15H,4-9H2,1H3,(H,16,17)
InChIKeyUCGUNGQSCFCLRE-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.65
Rot. Bonds5

About N-[2-[(4-methylcyclohexyl)amino]ethyl]thiophene-2-carboxamide

N-[2-[(4-methylcyclohexyl)amino]ethyl]thiophene-2-carboxamide (PubChem CID 3156892) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[2-[(4-methylcyclohexyl)amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methylcyclohexyl)amino]ethyl]thiophene-2-carboxamide
PubChem CID3156892
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[2-[(4-methylcyclohexyl)amino]ethyl]thiophene-2-carboxamide
SMILESCC1CCC(NCCNC(=O)c2cccs2)CC1
InChIInChI=1S/C14H22N2OS/c1-11-4-6-12(7-5-11)15-8-9-16-14(17)13-3-2-10-18-13/h2-3,10-12,15H,4-9H2,1H3,(H,16,17)
InChIKeyUCGUNGQSCFCLRE-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylcyclohexyl)amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(4-methylcyclohexyl)amino]ethyl]thiophene-2-carboxamide (CID 3156892) is N-[2-[(4-methylcyclohexyl)amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-methylcyclohexyl)amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4-methylcyclohexyl)amino]ethyl]thiophene-2-carboxamide is CC1CCC(NCCNC(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-[(4-methylcyclohexyl)amino]ethyl]thiophene-2-carboxamide?
The InChIKey is UCGUNGQSCFCLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-4-6-12(7-5-11)15-8-9-16-14(17)13-3-2-10-18-13/h2-3,10-12,15H,4-9H2,1H3,(H,16,17).
What are the key properties of N-[2-[(4-methylcyclohexyl)amino]ethyl]thiophene-2-carboxamide?
N-[2-[(4-methylcyclohexyl)amino]ethyl]thiophene-2-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylcyclohexyl)amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3156892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).