N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide

C11H18N2OS — CID 16931185

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
SMILESCCC(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C11H18N2OS/c1-4-11(14)12-7-10(13(2)3)9-5-6-15-8-9/h5-6,8,10H,4,7H2,1-3H3,(H,12,14)
InChIKeyUOSBGTJOXSVASZ-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.88
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide (PubChem CID 16931185) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
PubChem CID16931185
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
SMILESCCC(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C11H18N2OS/c1-4-11(14)12-7-10(13(2)3)9-5-6-15-8-9/h5-6,8,10H,4,7H2,1-3H3,(H,12,14)
InChIKeyUOSBGTJOXSVASZ-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide (CID 16931185) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide is CCC(=O)NCC(c1ccsc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide?
The InChIKey is UOSBGTJOXSVASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-11(14)12-7-10(13(2)3)9-5-6-15-8-9/h5-6,8,10H,4,7H2,1-3H3,(H,12,14).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide has a molecular weight of 226.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide is sourced from PubChem (CID 16931185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).