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

C11H18N2OS — CID 115153356

IUPAC3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
SMILESCNCCC(=O)NCCc1sccc1C
InChIInChI=1S/C11H18N2OS/c1-9-5-8-15-10(9)3-7-13-11(14)4-6-12-2/h5,8,12H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKeyRMJFINZXCCCMNL-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.32
Rot. Bonds6

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

3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide (PubChem CID 115153356) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
PubChem CID115153356
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
SMILESCNCCC(=O)NCCc1sccc1C
InChIInChI=1S/C11H18N2OS/c1-9-5-8-15-10(9)3-7-13-11(14)4-6-12-2/h5,8,12H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKeyRMJFINZXCCCMNL-UHFFFAOYSA-N
XLogP1.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 115152050
4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
CID 115155462
4-[2-(3-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 122008876
methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate
CID 115190738
methyl 2-[2-(3-methylthiophen-2-yl)ethylamino]-2-oxoacetate
CID 115142589
2-methyl-3-[2-(3-methylthiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 115164366
(E)-4-[2-(3-methylthiophen-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 115177301
N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide
CID 115159059
4-(3-methylthiophen-2-yl)butan-2-one
CID 11041114
3-amino-4-[2-(3-methylthiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 115181342
2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
CID 120993978
N-methyl-2-(3-methylthiophen-2-yl)acetamide
CID 67628204

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide?
The IUPAC name of 3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide (CID 115153356) is 3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide is CNCCC(=O)NCCc1sccc1C.
What is the InChIKey of 3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide?
The InChIKey is RMJFINZXCCCMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-5-8-15-10(9)3-7-13-11(14)4-6-12-2/h5,8,12H,3-4,6-7H2,1-2H3,(H,13,14).
What are the key properties of 3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide?
3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide has a molecular weight of 226.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide is sourced from PubChem (CID 115153356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).