3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide

C13H22N2OS — CID 63993085

IUPAC3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(C)c1sccc1C
InChIInChI=1S/C13H22N2OS/c1-4-7-15-12(16)5-8-14-11(3)13-10(2)6-9-17-13/h6,9,11,14H,4-5,7-8H2,1-3H3,(H,15,16)
InChIKeyMRWGJYQVZKNHPM-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.62
Rot. Bonds7

About 3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide

3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide (PubChem CID 63993085) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide
PubChem CID63993085
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(C)c1sccc1C
InChIInChI=1S/C13H22N2OS/c1-4-7-15-12(16)5-8-14-11(3)13-10(2)6-9-17-13/h6,9,11,14H,4-5,7-8H2,1-3H3,(H,15,16)
InChIKeyMRWGJYQVZKNHPM-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63992869
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 63993417
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
(E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine
CID 115890210
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide
CID 115923508
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63993484
N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide
CID 63993076
7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine
CID 63991434
N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 63992889
tert-butyl N-ethyl-N-[2-[1-(3-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 103780690
2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
CID 99636574

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide?
The IUPAC name of 3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide (CID 63993085) is 3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide?
The canonical SMILES for 3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide is CCCNC(=O)CCNC(C)c1sccc1C.
What is the InChIKey of 3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide?
The InChIKey is MRWGJYQVZKNHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-7-15-12(16)5-8-14-11(3)13-10(2)6-9-17-13/h6,9,11,14H,4-5,7-8H2,1-3H3,(H,15,16).
What are the key properties of 3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide?
3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide has a molecular weight of 254.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide is sourced from PubChem (CID 63993085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).