5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide

C16H27N3OS — CID 131747634

IUPAC5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
SMILESCCN(c1scc(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)16-11(2)14(10-21-16)15(17)20/h10,12-13H,5-9H2,1-4H3,(H2,17,20)
InChIKeyRRLPGRIBTZHTLA-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.85
Rot. Bonds5

About 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide

5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide (PubChem CID 131747634) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
PubChem CID131747634
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
SMILESCCN(c1scc(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)16-11(2)14(10-21-16)15(17)20/h10,12-13H,5-9H2,1-4H3,(H2,17,20)
InChIKeyRRLPGRIBTZHTLA-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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Related Compounds

5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 86763597
N-(4,4-difluorocyclohexyl)-4-ethenyl-5-(methylamino)thiophene-3-carboxamide
CID 162616911
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(((cis)-4-(dimethylamino)cyclohexyl)(ethyl)amino)-4-methylthiophene-3-carboxamide
CID 86298749
N-[(5-amino-2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
CID 86763276
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl((trans)-4-(ethyl(methyl)amino)cyclohexyl)amino)-4-methylthiophene-3-carboxamide
CID 86764150
5-[cyclohexyl(ethyl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 117689067
1-[5-[[4-(Dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophen-3-yl]ethanone
CID 117689086
5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(2,5,6-trimethyl-4-oxo-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide
CID 123378195
1-[5-[[4-(Dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophen-3-yl]propan-1-one
CID 137383775
5-[[4-(dimethylamino)cyclohexyl]-propan-2-ylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 137546149
2-[Ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide
CID 142795811
2-[[4-(Dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride
CID 142795821

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide?
The IUPAC name of 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide (CID 131747634) is 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide?
The canonical SMILES for 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide is CCN(c1scc(C(N)=O)c1C)C1CCC(N(C)C)CC1.
What is the InChIKey of 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide?
The InChIKey is RRLPGRIBTZHTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-5-19(13-8-6-12(7-9-13)18(3)4)16-11(2)14(10-21-16)15(17)20/h10,12-13H,5-9H2,1-4H3,(H2,17,20).
What are the key properties of 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide?
5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-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 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 131747634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).