3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide

C9H14N2OS — CID 115153529

IUPAC3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide
SMILESCc1ccsc1NC(=O)C(C)CN
InChIInChI=1S/C9H14N2OS/c1-6-3-4-13-9(6)11-8(12)7(2)5-10/h3-4,7H,5,10H2,1-2H3,(H,11,12)
InChIKeyZVBSBYVOJCAARA-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.59
Rot. Bonds3

About 3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide

3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide (PubChem CID 115153529) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide
PubChem CID115153529
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide
SMILESCc1ccsc1NC(=O)C(C)CN
InChIInChI=1S/C9H14N2OS/c1-6-3-4-13-9(6)11-8(12)7(2)5-10/h3-4,7H,5,10H2,1-2H3,(H,11,12)
InChIKeyZVBSBYVOJCAARA-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-chlorothiophen-3-yl)-2-methylpropanamide
CID 130948894
N'-(3-methylthiophen-2-yl)oxamide
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2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide
CID 115188778
2-(methylamino)-N-(3-methylthiophen-2-yl)acetamide
CID 115151897
N-(3-methylthiophen-2-yl)-3-oxobutanamide
CID 115176235
ethyl 3-[(3-methylthiophen-2-yl)amino]-3-oxopropanoate
CID 115138478
2-[(3-chloro-2-methylpropanoyl)amino]thiophene-3-carboxamide
CID 62726791
3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
CID 79602866
3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide
CID 62671199
3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62668717
N-[(2R)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 104872952
N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 130616224

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide?
The IUPAC name of 3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide (CID 115153529) is 3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide?
The canonical SMILES for 3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide is Cc1ccsc1NC(=O)C(C)CN.
What is the InChIKey of 3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide?
The InChIKey is ZVBSBYVOJCAARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-3-4-13-9(6)11-8(12)7(2)5-10/h3-4,7H,5,10H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide?
3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide has a molecular weight of 198.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(3-methylthiophen-2-yl)propanamide is sourced from PubChem (CID 115153529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).