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

C11H18N2OS — CID 43573926

IUPACN,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
SMILESCc1ccsc1CNC(C)C(=O)N(C)C
InChIInChI=1S/C11H18N2OS/c1-8-5-6-15-10(8)7-12-9(2)11(14)13(3)4/h5-6,9,12H,7H2,1-4H3
InChIKeyKZJYTDMZDLKKJM-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.62
Rot. Bonds4

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

N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide (PubChem CID 43573926) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
PubChem CID43573926
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
SMILESCc1ccsc1CNC(C)C(=O)N(C)C
InChIInChI=1S/C11H18N2OS/c1-8-5-6-15-10(8)7-12-9(2)11(14)13(3)4/h5-6,9,12H,7H2,1-4H3
InChIKeyKZJYTDMZDLKKJM-UHFFFAOYSA-N
XLogP1.62
TPSA32.34 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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43400102
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63990640
2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide
CID 112726245
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide
CID 61043134
N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 113221911
methyl (2R,3S)-3-hydroxy-2-[(3-methylthiophen-2-yl)methylamino]butanoate
CID 99793358
N-methyl-2-(3-methylthiophen-2-yl)acetamide
CID 67628204
3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 106345068
2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400029
(2R)-N,N-dimethyl-2-[(5-methylfuran-2-yl)methylamino]propanamide
CID 93249413
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide?
The IUPAC name of N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide (CID 43573926) is N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide is Cc1ccsc1CNC(C)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide?
The InChIKey is KZJYTDMZDLKKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-5-6-15-10(8)7-12-9(2)11(14)13(3)4/h5-6,9,12H,7H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide?
N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide has a molecular weight of 226.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide is sourced from PubChem (CID 43573926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).