N-[2-(dimethylamino)-2-thiophen-3-ylethyl]cyclohexanecarboxamide

C15H24N2OS — CID 16931131

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]cyclohexanecarboxamide
SMILESCN(C)C(CNC(=O)C1CCCCC1)c1ccsc1
InChIInChI=1S/C15H24N2OS/c1-17(2)14(13-8-9-19-11-13)10-16-15(18)12-6-4-3-5-7-12/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,16,18)
InChIKeyPEMPRNZWFUEBFJ-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.05
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]cyclohexanecarboxamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]cyclohexanecarboxamide (PubChem CID 16931131) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]cyclohexanecarboxamide
PubChem CID16931131
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]cyclohexanecarboxamide
SMILESCN(C)C(CNC(=O)C1CCCCC1)c1ccsc1
InChIInChI=1S/C15H24N2OS/c1-17(2)14(13-8-9-19-11-13)10-16-15(18)12-6-4-3-5-7-12/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,16,18)
InChIKeyPEMPRNZWFUEBFJ-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]cyclohexanecarboxamide (CID 16931131) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]cyclohexanecarboxamide is CN(C)C(CNC(=O)C1CCCCC1)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]cyclohexanecarboxamide?
The InChIKey is PEMPRNZWFUEBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-17(2)14(13-8-9-19-11-13)10-16-15(18)12-6-4-3-5-7-12/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]cyclohexanecarboxamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]cyclohexanecarboxamide has a molecular weight of 280.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]cyclohexanecarboxamide is sourced from PubChem (CID 16931131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).