5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide

C13H19NO2S — CID 140901140

IUPAC5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)N[C@@H]2CCOC2)cs1
InChIInChI=1S/C13H19NO2S/c1-13(2,3)11-6-9(8-17-11)12(15)14-10-4-5-16-7-10/h6,8,10H,4-5,7H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyWSGPRNFBQVVPHC-SNVBAGLBSA-N
MW253.37 g/mol
LogP2.56
Rot. Bonds2

About 5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide

5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide (PubChem CID 140901140) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide
PubChem CID140901140
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)N[C@@H]2CCOC2)cs1
InChIInChI=1S/C13H19NO2S/c1-13(2,3)11-6-9(8-17-11)12(15)14-10-4-5-16-7-10/h6,8,10H,4-5,7H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyWSGPRNFBQVVPHC-SNVBAGLBSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-3-yl)-5-sulfamoylthiophene-3-carboxamide
CID 80715507
1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide
CID 167621877
5-bromo-N-(oxolan-3-yl)furan-3-carboxamide
CID 130882956
4-hydroxy-N-(oxolan-3-yl)benzamide
CID 80713158
5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride
CID 118432944
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
3-[4-(oxan-3-ylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79691753
5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid
CID 80716496
5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 80712681
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784
4-amino-5-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 80717145
2,3-dimethyl-5-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 80716250

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide (CID 140901140) is 5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide is CC(C)(C)c1cc(C(=O)N[C@@H]2CCOC2)cs1.
What is the InChIKey of 5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide?
The InChIKey is WSGPRNFBQVVPHC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-13(2,3)11-6-9(8-17-11)12(15)14-10-4-5-16-7-10/h6,8,10H,4-5,7H2,1-3H3,(H,14,15)/t10-/m1/s1.
What are the key properties of 5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide?
5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 140901140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).