3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide

C11H15NO2S2 — CID 97064441

IUPAC3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC[C@H]1CCCS1
InChIInChI=1S/C11H15NO2S2/c1-14-9-4-6-16-10(9)11(13)12-7-8-3-2-5-15-8/h4,6,8H,2-3,5,7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyNVFWTWFEMXIOBK-MRVPVSSYSA-N
MW257.38 g/mol
LogP2.38
Rot. Bonds4

About 3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide

3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 97064441) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide
PubChem CID97064441
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC Name3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC[C@H]1CCCS1
InChIInChI=1S/C11H15NO2S2/c1-14-9-4-6-16-10(9)11(13)12-7-8-3-2-5-15-8/h4,6,8H,2-3,5,7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyNVFWTWFEMXIOBK-MRVPVSSYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide
CID 113272650
3-(3-aminoprop-1-ynyl)-N-(thiolan-2-ylmethyl)thiophene-2-carboxamide
CID 80586271
3-bromo-4-methoxy-N-(thian-2-ylmethyl)benzamide
CID 80600014
3-amino-5-methoxy-N-(thiolan-2-ylmethyl)benzamide
CID 81091777
N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide
CID 71980194
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-(thiolan-2-ylmethyl)benzamide
CID 80584078
(E)-3-[2-(thian-2-ylmethylcarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 80612372
N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 115364635
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide
CID 112699709
N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193
methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate
CID 113344178
2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid
CID 81127121

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide (CID 97064441) is 3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide is COc1ccsc1C(=O)NC[C@H]1CCCS1.
What is the InChIKey of 3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is NVFWTWFEMXIOBK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c1-14-9-4-6-16-10(9)11(13)12-7-8-3-2-5-15-8/h4,6,8H,2-3,5,7H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of 3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide?
3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 97064441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).