N-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide

C11H18N2OS — CID 115155685

IUPACN-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide
SMILESCNCCCC(=O)N(C)c1sccc1C
InChIInChI=1S/C11H18N2OS/c1-9-6-8-15-11(9)13(3)10(14)5-4-7-12-2/h6,8,12H,4-5,7H2,1-3H3
InChIKeySVTWYFXLRPZTMU-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.02
Rot. Bonds5

About N-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide

N-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide (PubChem CID 115155685) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide
PubChem CID115155685
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide
SMILESCNCCCC(=O)N(C)c1sccc1C
InChIInChI=1S/C11H18N2OS/c1-9-6-8-15-11(9)13(3)10(14)5-4-7-12-2/h6,8,12H,4-5,7H2,1-3H3
InChIKeySVTWYFXLRPZTMU-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea
CID 115192593
3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide
CID 115154152
N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide
CID 115183696
N,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647
1-(hydroxymethyl)-N-methyl-N-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 115182201
N-methyl-4-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]butanamide
CID 135968758
N-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride
CID 119758153
N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide
CID 115171691
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate
CID 115257352
N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide
CID 62982673
N-methyl-4-(methylamino)-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 61426651

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide?
The IUPAC name of N-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide (CID 115155685) is N-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide is CNCCCC(=O)N(C)c1sccc1C.
What is the InChIKey of N-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide?
The InChIKey is SVTWYFXLRPZTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-6-8-15-11(9)13(3)10(14)5-4-7-12-2/h6,8,12H,4-5,7H2,1-3H3.
What are the key properties of N-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide?
N-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide has a molecular weight of 226.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide is sourced from PubChem (CID 115155685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).