5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide

C12H19N3OS — CID 79613369

IUPAC5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNC2CCC(N)CC2)c1
InChIInChI=1S/C12H19N3OS/c13-9-1-3-10(4-2-9)15-6-11-5-8(7-17-11)12(14)16/h5,7,9-10,15H,1-4,6,13H2,(H2,14,16)
InChIKeySBMJSUNBYTZOLQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.21
Rot. Bonds4

About 5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide

5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide (PubChem CID 79613369) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide
PubChem CID79613369
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNC2CCC(N)CC2)c1
InChIInChI=1S/C12H19N3OS/c13-9-1-3-10(4-2-9)15-6-11-5-8(7-17-11)12(14)16/h5,7,9-10,15H,1-4,6,13H2,(H2,14,16)
InChIKeySBMJSUNBYTZOLQ-UHFFFAOYSA-N
XLogP1.21
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide
CID 79614458
5-[[(2-hydroxycyclopentyl)amino]methyl]thiophene-3-carboxamide
CID 115735693
tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate
CID 103801907
4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 79420437
5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide
CID 79614212
5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-3-carboxamide
CID 79614310
5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide
CID 97236076
2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide
CID 119477780
5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 79613412
5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 81462623
5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]thiophene-3-carboxamide
CID 79614194
5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide
CID 81387753

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide (CID 79613369) is 5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNC2CCC(N)CC2)c1.
What is the InChIKey of 5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide?
The InChIKey is SBMJSUNBYTZOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-9-1-3-10(4-2-9)15-6-11-5-8(7-17-11)12(14)16/h5,7,9-10,15H,1-4,6,13H2,(H2,14,16).
What are the key properties of 5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide?
5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79613369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).