5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide

C13H18N2OS — CID 113321738

IUPAC5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNCC2(C3CC3)CC2)c1
InChIInChI=1S/C13H18N2OS/c14-12(16)9-5-11(17-7-9)6-15-8-13(3-4-13)10-1-2-10/h5,7,10,15H,1-4,6,8H2,(H2,14,16)
InChIKeyFUQWPHZTASDTAT-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.13
Rot. Bonds6

About 5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide

5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide (PubChem CID 113321738) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide
PubChem CID113321738
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNCC2(C3CC3)CC2)c1
InChIInChI=1S/C13H18N2OS/c14-12(16)9-5-11(17-7-9)6-15-8-13(3-4-13)10-1-2-10/h5,7,10,15H,1-4,6,8H2,(H2,14,16)
InChIKeyFUQWPHZTASDTAT-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide
CID 112701033
5-[[(1-ethylcyclopentyl)methylamino]methyl]thiophene-3-carboxamide
CID 103802126
5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carboxamide
CID 115735684
5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 79613369
5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide
CID 79614212
5-(butylaminomethyl)thiophene-3-carboxamide
CID 79606629
5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide
CID 115758077
5-[[(2-hydroxycyclopentyl)amino]methyl]thiophene-3-carboxamide
CID 115735693
5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide
CID 97236076
5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide
CID 81463264
5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 79613545
5-[(3,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 115735473

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide (CID 113321738) is 5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNCC2(C3CC3)CC2)c1.
What is the InChIKey of 5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide?
The InChIKey is FUQWPHZTASDTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c14-12(16)9-5-11(17-7-9)6-15-8-13(3-4-13)10-1-2-10/h5,7,10,15H,1-4,6,8H2,(H2,14,16).
What are the key properties of 5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide?
5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 113321738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).