5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide

C11H16N2OS — CID 79614212

IUPAC5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide
SMILESCC1(C)CC1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C11H16N2OS/c1-11(2)4-9(11)13-5-8-3-7(6-15-8)10(12)14/h3,6,9,13H,4-5H2,1-2H3,(H2,12,14)
InChIKeyNMNBCMYVEMVGQN-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.74
Rot. Bonds4

About 5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide

5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide (PubChem CID 79614212) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide
PubChem CID79614212
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide
SMILESCC1(C)CC1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C11H16N2OS/c1-11(2)4-9(11)13-5-8-3-7(6-15-8)10(12)14/h3,6,9,13H,4-5H2,1-2H3,(H2,12,14)
InChIKeyNMNBCMYVEMVGQN-UHFFFAOYSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide (CID 79614212) is 5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide is CC1(C)CC1NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide?
The InChIKey is NMNBCMYVEMVGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-11(2)4-9(11)13-5-8-3-7(6-15-8)10(12)14/h3,6,9,13H,4-5H2,1-2H3,(H2,12,14).
What are the key properties of 5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide?
5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).