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

C11H18N2OS — CID 62668717

IUPAC3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccsc1CN(C)C(=O)C(C)CN
InChIInChI=1S/C11H18N2OS/c1-8-4-5-15-10(8)7-13(3)11(14)9(2)6-12/h4-5,9H,6-7,12H2,1-3H3
InChIKeyQGCZJCZYNGHMND-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.61
Rot. Bonds4

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

3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide (PubChem CID 62668717) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
PubChem CID62668717
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccsc1CN(C)C(=O)C(C)CN
InChIInChI=1S/C11H18N2OS/c1-8-4-5-15-10(8)7-13(3)11(14)9(2)6-12/h4-5,9H,6-7,12H2,1-3H3
InChIKeyQGCZJCZYNGHMND-UHFFFAOYSA-N
XLogP1.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62729258
N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 79201552
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
3-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]butanoic acid
CID 115186262
2-amino-N-methyl-4-methylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 54870095
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60939275
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 79200842
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115153731
5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55826474
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120784326
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide (CID 62668717) is 3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide is Cc1ccsc1CN(C)C(=O)C(C)CN.
What is the InChIKey of 3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is QGCZJCZYNGHMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-4-5-15-10(8)7-13(3)11(14)9(2)6-12/h4-5,9H,6-7,12H2,1-3H3.
What are the key properties of 3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 226.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 62668717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).