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

C14H22N2OS — CID 81387753

IUPAC5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide
SMILESC[C@H](NCc1cc(C(N)=O)cs1)C1CCCCC1
InChIInChI=1S/C14H22N2OS/c1-10(11-5-3-2-4-6-11)16-8-13-7-12(9-18-13)14(15)17/h7,9-11,16H,2-6,8H2,1H3,(H2,15,17)/t10-/m0/s1
InChIKeyFODYKEOKGCGKOF-JTQLQIEISA-N
MW266.41 g/mol
LogP2.91
Rot. Bonds5

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

5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide (PubChem CID 81387753) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide
PubChem CID81387753
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide
SMILESC[C@H](NCc1cc(C(N)=O)cs1)C1CCCCC1
InChIInChI=1S/C14H22N2OS/c1-10(11-5-3-2-4-6-11)16-8-13-7-12(9-18-13)14(15)17/h7,9-11,16H,2-6,8H2,1H3,(H2,15,17)/t10-/m0/s1
InChIKeyFODYKEOKGCGKOF-JTQLQIEISA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-cyclohexylethylamino)methyl]thiophene-3-carboxamide
CID 79613790
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63478526
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide
CID 79614623
5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 81462623
5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide
CID 97236069
5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide
CID 79614506
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956
5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79606562
5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
CID 79605581
5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 79613412
5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide
CID 79614212

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide (CID 81387753) is 5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide is C[C@H](NCc1cc(C(N)=O)cs1)C1CCCCC1.
What is the InChIKey of 5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide?
The InChIKey is FODYKEOKGCGKOF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(11-5-3-2-4-6-11)16-8-13-7-12(9-18-13)14(15)17/h7,9-11,16H,2-6,8H2,1H3,(H2,15,17)/t10-/m0/s1.
What are the key properties of 5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide?
5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 81387753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).