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

C13H22N2OS — CID 79606562

IUPAC5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide
SMILESCC(C)CCC(C)NCc1cc(C(N)=O)cs1
InChIInChI=1S/C13H22N2OS/c1-9(2)4-5-10(3)15-7-12-6-11(8-17-12)13(14)16/h6,8-10,15H,4-5,7H2,1-3H3,(H2,14,16)
InChIKeyGKTXQZRRWRTKJL-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.76
Rot. Bonds7

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

5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide (PubChem CID 79606562) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide
PubChem CID79606562
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide
SMILESCC(C)CCC(C)NCc1cc(C(N)=O)cs1
InChIInChI=1S/C13H22N2OS/c1-9(2)4-5-10(3)15-7-12-6-11(8-17-12)13(14)16/h6,8-10,15H,4-5,7H2,1-3H3,(H2,14,16)
InChIKeyGKTXQZRRWRTKJL-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(heptan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79614425
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956
5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
CID 79605581
5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide
CID 79614506
5-[[1-(2-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614684
5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613858
5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613364
5-[(1-cyclohexylethylamino)methyl]thiophene-3-carboxamide
CID 79613790
5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide
CID 81387753
5-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613995
5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613665

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide (CID 79606562) is 5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide is CC(C)CCC(C)NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide?
The InChIKey is GKTXQZRRWRTKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(2)4-5-10(3)15-7-12-6-11(8-17-12)13(14)16/h6,8-10,15H,4-5,7H2,1-3H3,(H2,14,16).
What are the key properties of 5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide?
5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide has a molecular weight of 254.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79606562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).