4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide

C14H22N2OS — CID 54891571

IUPAC4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
SMILESCCC1CCC(NCc2cccs2)(C(N)=O)CC1
InChIInChI=1S/C14H22N2OS/c1-2-11-5-7-14(8-6-11,13(15)17)16-10-12-4-3-9-18-12/h3-4,9,11,16H,2,5-8,10H2,1H3,(H2,15,17)
InChIKeyBBPMSQZDGZWJAW-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.66
Rot. Bonds5

About 4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide

4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide (PubChem CID 54891571) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
PubChem CID54891571
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
SMILESCCC1CCC(NCc2cccs2)(C(N)=O)CC1
InChIInChI=1S/C14H22N2OS/c1-2-11-5-7-14(8-6-11,13(15)17)16-10-12-4-3-9-18-12/h3-4,9,11,16H,2,5-8,10H2,1H3,(H2,15,17)
InChIKeyBBPMSQZDGZWJAW-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide (CID 54891571) is 4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide is CCC1CCC(NCc2cccs2)(C(N)=O)CC1.
What is the InChIKey of 4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide?
The InChIKey is BBPMSQZDGZWJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-11-5-7-14(8-6-11,13(15)17)16-10-12-4-3-9-18-12/h3-4,9,11,16H,2,5-8,10H2,1H3,(H2,15,17).
What are the key properties of 4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide?
4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 54891571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).