1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide

C14H22N2OS — CID 75454010

IUPAC1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1(NCCCc2ccsc2)CCCCC1
InChIInChI=1S/C14H22N2OS/c15-13(17)14(7-2-1-3-8-14)16-9-4-5-12-6-10-18-11-12/h6,10-11,16H,1-5,7-9H2,(H2,15,17)
InChIKeyPKJVGDJKLYWMNJ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.46
Rot. Bonds6

About 1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide

1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide (PubChem CID 75454010) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide
PubChem CID75454010
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1(NCCCc2ccsc2)CCCCC1
InChIInChI=1S/C14H22N2OS/c15-13(17)14(7-2-1-3-8-14)16-9-4-5-12-6-10-18-11-12/h6,10-11,16H,1-5,7-9H2,(H2,15,17)
InChIKeyPKJVGDJKLYWMNJ-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.46
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 1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide (CID 75454010) is 1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide is NC(=O)C1(NCCCc2ccsc2)CCCCC1.
What is the InChIKey of 1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide?
The InChIKey is PKJVGDJKLYWMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c15-13(17)14(7-2-1-3-8-14)16-9-4-5-12-6-10-18-11-12/h6,10-11,16H,1-5,7-9H2,(H2,15,17).
What are the key properties of 1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide?
1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 75454010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).