1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide

C15H20N2OS — CID 80599692

IUPAC1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
SMILESCCCC(NC(=O)C1(C#N)CC(C)C1)c1cccs1
InChIInChI=1S/C15H20N2OS/c1-3-5-12(13-6-4-7-19-13)17-14(18)15(10-16)8-11(2)9-15/h4,6-7,11-12H,3,5,8-9H2,1-2H3,(H,17,18)
InChIKeyFSPAXUPMIDXYSP-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.65
Rot. Bonds5

About 1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide

1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide (PubChem CID 80599692) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
PubChem CID80599692
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
SMILESCCCC(NC(=O)C1(C#N)CC(C)C1)c1cccs1
InChIInChI=1S/C15H20N2OS/c1-3-5-12(13-6-4-7-19-13)17-14(18)15(10-16)8-11(2)9-15/h4,6-7,11-12H,3,5,8-9H2,1-2H3,(H,17,18)
InChIKeyFSPAXUPMIDXYSP-UHFFFAOYSA-N
XLogP3.65
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 80502048
1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide
CID 115441973
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
1-(aminomethyl)-N-(1-thiophen-2-ylbutyl)cyclopentane-1-carboxamide
CID 115435212
1-thiophen-2-ylbutylcyanamide
CID 62481656
1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
CID 80589308
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide
CID 79203080
N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide
CID 54962408
4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide
CID 63716522
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide (CID 80599692) is 1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide is CCCC(NC(=O)C1(C#N)CC(C)C1)c1cccs1.
What is the InChIKey of 1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide?
The InChIKey is FSPAXUPMIDXYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-5-12(13-6-4-7-19-13)17-14(18)15(10-16)8-11(2)9-15/h4,6-7,11-12H,3,5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80599692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).