2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide

C11H17NOS — CID 112725782

IUPAC2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccsc1CNC(=O)C(C)(C)C
InChIInChI=1S/C11H17NOS/c1-8-5-6-14-9(8)7-12-10(13)11(2,3)4/h5-6H,7H2,1-4H3,(H,12,13)
InChIKeyYNSFPDATBFNONV-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.72
Rot. Bonds2

About 2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide

2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide (PubChem CID 112725782) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
PubChem CID112725782
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccsc1CNC(=O)C(C)(C)C
InChIInChI=1S/C11H17NOS/c1-8-5-6-14-9(8)7-12-10(13)11(2,3)4/h5-6H,7H2,1-4H3,(H,12,13)
InChIKeyYNSFPDATBFNONV-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 119280432
2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588017
N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
CID 95982626
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
(2R)-3,3-dimethyl-2-[(3-methylthiophen-2-yl)methylcarbamoylamino]butanoic acid
CID 113353255
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate
CID 43725939
4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
CID 32988009
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78932006
2-[(3-methylthiophen-2-yl)methylcarbamoyl]butanoic acid
CID 115186004

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide (CID 112725782) is 2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide is Cc1ccsc1CNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is YNSFPDATBFNONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-5-6-14-9(8)7-12-10(13)11(2,3)4/h5-6H,7H2,1-4H3,(H,12,13).
What are the key properties of 2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 211.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 112725782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).