5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide

C15H18N2OS — CID 81360413

IUPAC5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide
SMILESCc1cccc([C@H](C)NCc2cc(C(N)=O)cs2)c1
InChIInChI=1S/C15H18N2OS/c1-10-4-3-5-12(6-10)11(2)17-8-14-7-13(9-19-14)15(16)18/h3-7,9,11,17H,8H2,1-2H3,(H2,16,18)/t11-/m0/s1
InChIKeyKAPSTUAYAPQFCS-NSHDSACASA-N
MW274.39 g/mol
LogP3.01
Rot. Bonds5

About 5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide

5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide (PubChem CID 81360413) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide
PubChem CID81360413
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide
SMILESCc1cccc([C@H](C)NCc2cc(C(N)=O)cs2)c1
InChIInChI=1S/C15H18N2OS/c1-10-4-3-5-12(6-10)11(2)17-8-14-7-13(9-19-14)15(16)18/h3-7,9,11,17H,8H2,1-2H3,(H2,16,18)/t11-/m0/s1
InChIKeyKAPSTUAYAPQFCS-NSHDSACASA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614281
5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
CID 79605581
5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 96526651
5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613858
5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613364
3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
CID 43778803
3-methyl-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930103
5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79611660
5-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613995
5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613665
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956
5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79606562

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide (CID 81360413) is 5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide is Cc1cccc([C@H](C)NCc2cc(C(N)=O)cs2)c1.
What is the InChIKey of 5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide?
The InChIKey is KAPSTUAYAPQFCS-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-4-3-5-12(6-10)11(2)17-8-14-7-13(9-19-14)15(16)18/h3-7,9,11,17H,8H2,1-2H3,(H2,16,18)/t11-/m0/s1.
What are the key properties of 5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide?
5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 81360413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).