5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide

C15H24N2OS — CID 81462623

IUPAC5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide
SMILESCC(C)C1CCCCC1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C15H24N2OS/c1-10(2)13-5-3-4-6-14(13)17-8-12-7-11(9-19-12)15(16)18/h7,9-10,13-14,17H,3-6,8H2,1-2H3,(H2,16,18)
InChIKeyQQYPNVYTJLRPAN-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.15
Rot. Bonds5

About 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide

5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide (PubChem CID 81462623) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide
PubChem CID81462623
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide
SMILESCC(C)C1CCCCC1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C15H24N2OS/c1-10(2)13-5-3-4-6-14(13)17-8-12-7-11(9-19-12)15(16)18/h7,9-10,13-14,17H,3-6,8H2,1-2H3,(H2,16,18)
InChIKeyQQYPNVYTJLRPAN-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 79613412
5-[[(2-hydroxycyclopentyl)amino]methyl]thiophene-3-carboxamide
CID 115735693
5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide
CID 97236076
5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide
CID 79614310
5-[(1-cyclohexylethylamino)methyl]thiophene-3-carboxamide
CID 79613790
5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide
CID 81387753
5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide
CID 79614212
5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide
CID 79614194
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 79613369
5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide
CID 79614458
5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide
CID 126769120

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide (CID 81462623) is 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide is CC(C)C1CCCCC1NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide?
The InChIKey is QQYPNVYTJLRPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10(2)13-5-3-4-6-14(13)17-8-12-7-11(9-19-12)15(16)18/h7,9-10,13-14,17H,3-6,8H2,1-2H3,(H2,16,18).
What are the key properties of 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide?
5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide has a molecular weight of 280.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 81462623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).