5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide

C11H17N3O2S — CID 79614506

IUPAC5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide
SMILESCCNC(=O)C(C)NCc1cc(C(N)=O)cs1
InChIInChI=1S/C11H17N3O2S/c1-3-13-11(16)7(2)14-5-9-4-8(6-17-9)10(12)15/h4,6-7,14H,3,5H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyLAUVFARWLUNDLY-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.46
Rot. Bonds6

About 5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide

5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide (PubChem CID 79614506) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide
PubChem CID79614506
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide
SMILESCCNC(=O)C(C)NCc1cc(C(N)=O)cs1
InChIInChI=1S/C11H17N3O2S/c1-3-13-11(16)7(2)14-5-9-4-8(6-17-9)10(12)15/h4,6-7,14H,3,5H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyLAUVFARWLUNDLY-UHFFFAOYSA-N
XLogP0.46
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
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CID 43400116
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956
5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide
CID 79614623
5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79606562
5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79613799
5-[(heptan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79614425
5-[[2-(2-methylpropanoylamino)ethylamino]methyl]thiophene-3-carboxamide
CID 79606126
5-[(1-cyclohexylethylamino)methyl]thiophene-3-carboxamide
CID 79613790
5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide
CID 81387753
5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
CID 79605581
3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 61476831

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide (CID 79614506) is 5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide is CCNC(=O)C(C)NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide?
The InChIKey is LAUVFARWLUNDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-13-11(16)7(2)14-5-9-4-8(6-17-9)10(12)15/h4,6-7,14H,3,5H2,1-2H3,(H2,12,15)(H,13,16).
What are the key properties of 5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide?
5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).