N-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide

C10H12N2O2S — CID 164632129

IUPACN-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide
SMILESCOC[C@@](C)(C#N)NC(=O)c1ccsc1
InChIInChI=1S/C10H12N2O2S/c1-10(6-11,7-14-2)12-9(13)8-3-4-15-5-8/h3-5H,7H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKeyIFABXCSDEDDATN-SNVBAGLBSA-N
MW224.28 g/mol
LogP1.41
Rot. Bonds4

About N-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide

N-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide (PubChem CID 164632129) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide
PubChem CID164632129
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide
SMILESCOC[C@@](C)(C#N)NC(=O)c1ccsc1
InChIInChI=1S/C10H12N2O2S/c1-10(6-11,7-14-2)12-9(13)8-3-4-15-5-8/h3-5H,7H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKeyIFABXCSDEDDATN-SNVBAGLBSA-N
XLogP1.41
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide (CID 164632129) is N-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide is COC[C@@](C)(C#N)NC(=O)c1ccsc1.
What is the InChIKey of N-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide?
The InChIKey is IFABXCSDEDDATN-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-10(6-11,7-14-2)12-9(13)8-3-4-15-5-8/h3-5H,7H2,1-2H3,(H,12,13)/t10-/m1/s1.
What are the key properties of N-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide?
N-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide has a molecular weight of 224.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 164632129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).