2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide

C12H16N2OS — CID 62056893

IUPAC2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide
SMILESCCCC(C#N)C(=O)NCc1ccc(C)s1
InChIInChI=1S/C12H16N2OS/c1-3-4-10(7-13)12(15)14-8-11-6-5-9(2)16-11/h5-6,10H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyRBEIFOIAIIJILE-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.61
Rot. Bonds5

About 2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide

2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide (PubChem CID 62056893) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide
PubChem CID62056893
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide
SMILESCCCC(C#N)C(=O)NCc1ccc(C)s1
InChIInChI=1S/C12H16N2OS/c1-3-4-10(7-13)12(15)14-8-11-6-5-9(2)16-11/h5-6,10H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyRBEIFOIAIIJILE-UHFFFAOYSA-N
XLogP2.61
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 55209942
2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 114137027
(2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 94824862
2-(5-methylthiophene-2-carbonyl)pentanenitrile
CID 79405911
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853
2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384976
2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide
CID 79236197
(2R)-2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 62058382
(2S)-2-amino-3,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119709408
6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide
CID 65291508
2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 62475607
N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 61067131

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide?
The IUPAC name of 2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide (CID 62056893) is 2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide.
What is the SMILES notation for 2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide?
The canonical SMILES for 2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide is CCCC(C#N)C(=O)NCc1ccc(C)s1.
What is the InChIKey of 2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide?
The InChIKey is RBEIFOIAIIJILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-4-10(7-13)12(15)14-8-11-6-5-9(2)16-11/h5-6,10H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of 2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide?
2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide has a molecular weight of 236.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide is sourced from PubChem (CID 62056893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).