3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide

C11H16N2OS — CID 103563331

IUPAC3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
SMILESCC1CC(NCc2cccs2)(C(N)=O)C1
InChIInChI=1S/C11H16N2OS/c1-8-5-11(6-8,10(12)14)13-7-9-3-2-4-15-9/h2-4,8,13H,5-7H2,1H3,(H2,12,14)
InChIKeyAEHAKVGHILWEFM-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.49
Rot. Bonds4

About 3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide

3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide (PubChem CID 103563331) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
PubChem CID103563331
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
SMILESCC1CC(NCc2cccs2)(C(N)=O)C1
InChIInChI=1S/C11H16N2OS/c1-8-5-11(6-8,10(12)14)13-7-9-3-2-4-15-9/h2-4,8,13H,5-7H2,1H3,(H2,12,14)
InChIKeyAEHAKVGHILWEFM-UHFFFAOYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891663
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 65085259
3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 106822477
3,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 64752302
1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 54891229
4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891571
3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide
CID 80705800
2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 64755354
methyl 3-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54894920
1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide
CID 63166290
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 65085265

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide?
The IUPAC name of 3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide (CID 103563331) is 3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide?
The canonical SMILES for 3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide is CC1CC(NCc2cccs2)(C(N)=O)C1.
What is the InChIKey of 3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide?
The InChIKey is AEHAKVGHILWEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-5-11(6-8,10(12)14)13-7-9-3-2-4-15-9/h2-4,8,13H,5-7H2,1H3,(H2,12,14).
What are the key properties of 3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide?
3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide is sourced from PubChem (CID 103563331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).