5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide

C11H18N2O2S — CID 79613799

IUPAC5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide
SMILESCCC(COC)NCc1cc(C(N)=O)cs1
InChIInChI=1S/C11H18N2O2S/c1-3-9(6-15-2)13-5-10-4-8(7-16-10)11(12)14/h4,7,9,13H,3,5-6H2,1-2H3,(H2,12,14)
InChIKeyXKYMVTVLPYBRHT-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.36
Rot. Bonds7

About 5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide

5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide (PubChem CID 79613799) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide
PubChem CID79613799
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide
SMILESCCC(COC)NCc1cc(C(N)=O)cs1
InChIInChI=1S/C11H18N2O2S/c1-3-9(6-15-2)13-5-10-4-8(7-16-10)11(12)14/h4,7,9,13H,3,5-6H2,1-2H3,(H2,12,14)
InChIKeyXKYMVTVLPYBRHT-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79613876
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide
CID 79614506
5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]thiophene-3-carboxamide
CID 103876396
5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79606562
5-[(heptan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79614425
5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
CID 79605581
5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide
CID 79614481
5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79611660
5-(butylaminomethyl)thiophene-3-carboxamide
CID 79606629
5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide
CID 104923448

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide (CID 79613799) is 5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide is CCC(COC)NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide?
The InChIKey is XKYMVTVLPYBRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-9(6-15-2)13-5-10-4-8(7-16-10)11(12)14/h4,7,9,13H,3,5-6H2,1-2H3,(H2,12,14).
What are the key properties of 5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide?
5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide has a molecular weight of 242.34 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79613799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).