N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide

C11H16N2OS — CID 95591821

IUPACN'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide
SMILESC/N=C(\NC[C@@H]1CCCO1)c1cccs1
InChIInChI=1S/C11H16N2OS/c1-12-11(10-5-3-7-15-10)13-8-9-4-2-6-14-9/h3,5,7,9H,2,4,6,8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyYVIHOWJKDRYKQK-VIFPVBQESA-N
MW224.33 g/mol
LogP1.89
Rot. Bonds3

About N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide

N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide (PubChem CID 95591821) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide
PubChem CID95591821
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide
SMILESC/N=C(\NC[C@@H]1CCCO1)c1cccs1
InChIInChI=1S/C11H16N2OS/c1-12-11(10-5-3-7-15-10)13-8-9-4-2-6-14-9/h3,5,7,9H,2,4,6,8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyYVIHOWJKDRYKQK-VIFPVBQESA-N
XLogP1.89
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
CID 2530381
[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate
CID 1470109
N-(oxolan-2-ylmethyl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376286
2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111792265
[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate
CID 1470160
2-methyl-1-(oxolan-2-ylmethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine
CID 111138245
1-(oxolan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2956318
1-[[(2S)-oxolan-2-yl]methyl]-3-(thiophen-2-ylmethyl)thiourea
CID 970924
[(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate
CID 1470140
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
N-(oxolan-2-ylmethyl)thiophen-2-amine
CID 3436457
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide?
The IUPAC name of N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide (CID 95591821) is N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide is C/N=C(\NC[C@@H]1CCCO1)c1cccs1.
What is the InChIKey of N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide?
The InChIKey is YVIHOWJKDRYKQK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2OS/c1-12-11(10-5-3-7-15-10)13-8-9-4-2-6-14-9/h3,5,7,9H,2,4,6,8H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide?
N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide has a molecular weight of 224.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide is sourced from PubChem (CID 95591821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).