4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide

C16H27N3OS — CID 142795810

IUPAC4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide
SMILESCCN(c1csc(C(N)=O)c1C)C1CCC(N(C)C)CC1
InChIInChI=1S/C16H27N3OS/c1-5-19(13-8-6-12(7-9-13)18(3)4)14-10-21-15(11(14)2)16(17)20/h10,12-13H,5-9H2,1-4H3,(H2,17,20)
InChIKeyIVMDNPNSRXUPIE-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.85
Rot. Bonds5

About 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide

4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide (PubChem CID 142795810) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide
PubChem CID142795810
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide
SMILESCCN(c1csc(C(N)=O)c1C)C1CCC(N(C)C)CC1
InChIInChI=1S/C16H27N3OS/c1-5-19(13-8-6-12(7-9-13)18(3)4)14-10-21-15(11(14)2)16(17)20/h10,12-13H,5-9H2,1-4H3,(H2,17,20)
InChIKeyIVMDNPNSRXUPIE-UHFFFAOYSA-N
XLogP2.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide?
The IUPAC name of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide (CID 142795810) is 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide is CCN(c1csc(C(N)=O)c1C)C1CCC(N(C)C)CC1.
What is the InChIKey of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide?
The InChIKey is IVMDNPNSRXUPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-5-19(13-8-6-12(7-9-13)18(3)4)14-10-21-15(11(14)2)16(17)20/h10,12-13H,5-9H2,1-4H3,(H2,17,20).
What are the key properties of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide?
4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide has a molecular weight of 309.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 142795810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).