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

C16H28ClN3OS — CID 142795821

IUPAC2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride
SMILESCCN(c1scc(C)c1C(N)=O)C1CCC(N(C)C)CC1.Cl
InChIInChI=1S/C16H27N3OS.ClH/c1-5-19(13-8-6-12(7-9-13)18(3)4)16-14(15(17)20)11(2)10-21-16;/h10,12-13H,5-9H2,1-4H3,(H2,17,20);1H
InChIKeyPDONLKYJHOBQGY-UHFFFAOYSA-N
MW345.94 g/mol
LogP3.28
Rot. Bonds5

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

2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride (PubChem CID 142795821) has the molecular formula C16H28ClN3OS and a molecular weight of 345.94 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride
PubChem CID142795821
Molecular FormulaC16H28ClN3OS
Molecular Weight345.94 g/mol
Exact Mass345.16
IUPAC Name2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride
SMILESCCN(c1scc(C)c1C(N)=O)C1CCC(N(C)C)CC1.Cl
InChIInChI=1S/C16H27N3OS.ClH/c1-5-19(13-8-6-12(7-9-13)18(3)4)16-14(15(17)20)11(2)10-21-16;/h10,12-13H,5-9H2,1-4H3,(H2,17,20);1H
InChIKeyPDONLKYJHOBQGY-UHFFFAOYSA-N
XLogP3.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.94
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(((trans)-4-(Dimethylamino)cyclohexyl)(ethyl)amino)-4-methylthiophene-3-carboxamide
CID 131747634
2-[Ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 142795809
2-[Ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide
CID 142795811
2-[[4-(Dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
CID 142795822
2-[Ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride
CID 142795826
4-Methyl-2-(propan-2-ylamino)thiophene-3-carboxamide
CID 164709707

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride?
The IUPAC name of 2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride (CID 142795821) is 2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride is CCN(c1scc(C)c1C(N)=O)C1CCC(N(C)C)CC1.Cl.
What is the InChIKey of 2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride?
The InChIKey is PDONLKYJHOBQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS.ClH/c1-5-19(13-8-6-12(7-9-13)18(3)4)16-14(15(17)20)11(2)10-21-16;/h10,12-13H,5-9H2,1-4H3,(H2,17,20);1H.
What are the key properties of 2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride?
2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride has a molecular weight of 345.94 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 142795821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).