N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide

C11H14N2OS — CID 17374418

IUPACN-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1sccc1C#N
InChIInChI=1S/C11H14N2OS/c1-11(2,3)6-9(14)13-10-8(7-12)4-5-15-10/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyCXGYCKYOPOPLED-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.99
Rot. Bonds2

About N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide

N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide (PubChem CID 17374418) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
PubChem CID17374418
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1sccc1C#N
InChIInChI=1S/C11H14N2OS/c1-11(2,3)6-9(14)13-10-8(7-12)4-5-15-10/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyCXGYCKYOPOPLED-UHFFFAOYSA-N
XLogP2.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605028
2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide
CID 114327374
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263781
3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 66220996
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 43466026
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442383
3-(4-tert-butylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 9042639
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-cyanothiophen-2-yl)acetamide
CID 79652535
3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60987126
2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide
CID 17428824
2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate
CID 14015035
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide (CID 17374418) is N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide?
The InChIKey is CXGYCKYOPOPLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-11(2,3)6-9(14)13-10-8(7-12)4-5-15-10/h4-5H,6H2,1-3H3,(H,13,14).
What are the key properties of N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide?
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide has a molecular weight of 222.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 17374418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).