3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide

C15H24N2OS — CID 54891663

IUPAC3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
SMILESCC1CC(C)(C)CC(NCc2cccs2)(C(N)=O)C1
InChIInChI=1S/C15H24N2OS/c1-11-7-14(2,3)10-15(8-11,13(16)18)17-9-12-5-4-6-19-12/h4-6,11,17H,7-10H2,1-3H3,(H2,16,18)
InChIKeyVUPGGIIETJVVAQ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.91
Rot. Bonds4

About 3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide

3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide (PubChem CID 54891663) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
PubChem CID54891663
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
SMILESCC1CC(C)(C)CC(NCc2cccs2)(C(N)=O)C1
InChIInChI=1S/C15H24N2OS/c1-11-7-14(2,3)10-15(8-11,13(16)18)17-9-12-5-4-6-19-12/h4-6,11,17H,7-10H2,1-3H3,(H2,16,18)
InChIKeyVUPGGIIETJVVAQ-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 103563331
3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide
CID 80705800
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 65085259
3,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 64752302
3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 106822477
1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 54891229
4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891571
2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 64755354
ethyl 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate
CID 80698525
methyl 3-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54894920
1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide
CID 63166290

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide (CID 54891663) is 3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide is CC1CC(C)(C)CC(NCc2cccs2)(C(N)=O)C1.
What is the InChIKey of 3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide?
The InChIKey is VUPGGIIETJVVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11-7-14(2,3)10-15(8-11,13(16)18)17-9-12-5-4-6-19-12/h4-6,11,17H,7-10H2,1-3H3,(H2,16,18).
What are the key properties of 3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide?
3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide has a molecular weight of 280.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 54891663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).