4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide

C13H20N2OS — CID 54891183

IUPAC4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
SMILESCC1CCC(NCc2cccs2)(C(N)=O)CC1
InChIInChI=1S/C13H20N2OS/c1-10-4-6-13(7-5-10,12(14)16)15-9-11-3-2-8-17-11/h2-3,8,10,15H,4-7,9H2,1H3,(H2,14,16)
InChIKeyLTIFHXDTNDFGOT-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.27
Rot. Bonds4

About 4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide

4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide (PubChem CID 54891183) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
PubChem CID54891183
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
SMILESCC1CCC(NCc2cccs2)(C(N)=O)CC1
InChIInChI=1S/C13H20N2OS/c1-10-4-6-13(7-5-10,12(14)16)15-9-11-3-2-8-17-11/h2-3,8,10,15H,4-7,9H2,1H3,(H2,14,16)
InChIKeyLTIFHXDTNDFGOT-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 65085259
4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891571
3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 103563331
1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 54891229
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 65085265
3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891663
3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide
CID 80705800
1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide
CID 63166290
2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 64755354
3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 106822477
3,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 64752302
methyl 3-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54894920

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide (CID 54891183) is 4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide is CC1CCC(NCc2cccs2)(C(N)=O)CC1.
What is the InChIKey of 4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide?
The InChIKey is LTIFHXDTNDFGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-4-6-13(7-5-10,12(14)16)15-9-11-3-2-8-17-11/h2-3,8,10,15H,4-7,9H2,1H3,(H2,14,16).
What are the key properties of 4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide?
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 54891183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).