N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide

C12H20N2OS — CID 63990640

IUPACN,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
SMILESCc1ccsc1C(C)NC(C)C(=O)N(C)C
InChIInChI=1S/C12H20N2OS/c1-8-6-7-16-11(8)9(2)13-10(3)12(15)14(4)5/h6-7,9-10,13H,1-5H3
InChIKeyGUPCVSLUBJWYBX-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.18
Rot. Bonds4

About N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide

N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide (PubChem CID 63990640) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
PubChem CID63990640
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
SMILESCc1ccsc1C(C)NC(C)C(=O)N(C)C
InChIInChI=1S/C12H20N2OS/c1-8-6-7-16-11(8)9(2)13-10(3)12(15)14(4)5/h6-7,9-10,13H,1-5H3
InChIKeyGUPCVSLUBJWYBX-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43573926
1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine
CID 82946292
N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 63992990
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 63993417
4-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63991012
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 95310720
3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid
CID 64526594
N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63991666
N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63992869
N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778106
4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol
CID 104925970
methyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate
CID 61345774

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide?
The IUPAC name of N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide (CID 63990640) is N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide is Cc1ccsc1C(C)NC(C)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide?
The InChIKey is GUPCVSLUBJWYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8-6-7-16-11(8)9(2)13-10(3)12(15)14(4)5/h6-7,9-10,13H,1-5H3.
What are the key properties of N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide?
N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide has a molecular weight of 240.37 g/mol, XLogP of 2.18, 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-[1-(3-methylthiophen-2-yl)ethylamino]propanamide is sourced from PubChem (CID 63990640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).