2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide

C11H18N2OS — CID 43400029

IUPAC2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide
SMILESCc1ccsc1CNCC(=O)NC(C)C
InChIInChI=1S/C11H18N2OS/c1-8(2)13-11(14)7-12-6-10-9(3)4-5-15-10/h4-5,8,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyMTHXCWXQMCSLGW-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.67
Rot. Bonds5

About 2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide

2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide (PubChem CID 43400029) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide
PubChem CID43400029
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide
SMILESCc1ccsc1CNCC(=O)NC(C)C
InChIInChI=1S/C11H18N2OS/c1-8(2)13-11(14)7-12-6-10-9(3)4-5-15-10/h4-5,8,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyMTHXCWXQMCSLGW-UHFFFAOYSA-N
XLogP1.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 63993417
3-amino-4-[(3-methylthiophen-2-yl)methylamino]butanoic acid
CID 115241731
N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78932006
3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904562
2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde
CID 115223017
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43573926
4-[(3-methylthiophen-2-yl)methylamino]butanoic acid
CID 51888577
1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 78880733
methyl 1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclobutane-1-carboxylate
CID 115247320
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 111454882
N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43400102

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide (CID 43400029) is 2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide is Cc1ccsc1CNCC(=O)NC(C)C.
What is the InChIKey of 2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide?
The InChIKey is MTHXCWXQMCSLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(2)13-11(14)7-12-6-10-9(3)4-5-15-10/h4-5,8,12H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide?
2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide has a molecular weight of 226.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43400029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).