5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide

C12H17NO2S — CID 1247088

IUPAC5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cs1
InChIInChI=1S/C12H17NO2S/c1-8-6-10(7-16-8)12(14)13-9(2)11-4-3-5-15-11/h6-7,9,11H,3-5H2,1-2H3,(H,13,14)/t9-,11-/m0/s1
InChIKeyZKNSBSDCIZSLCO-ONGXEEELSA-N
MW239.34 g/mol
LogP2.35
Rot. Bonds3

About 5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide

5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide (PubChem CID 1247088) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
PubChem CID1247088
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cs1
InChIInChI=1S/C12H17NO2S/c1-8-6-10(7-16-8)12(14)13-9(2)11-4-3-5-15-11/h6-7,9,11H,3-5H2,1-2H3,(H,13,14)/t9-,11-/m0/s1
InChIKeyZKNSBSDCIZSLCO-ONGXEEELSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide
CID 29037742
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
N-[1-(oxolan-2-yl)ethyl]-5-propylthiophene-3-carboxamide
CID 6469294
3-[4-[1-(oxolan-2-yl)ethylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79683844
5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
CID 79696596
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 35235171
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
4-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
CID 6470285
3-methyl-5-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65371520
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 35246071

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide (CID 1247088) is 5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide is Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cs1.
What is the InChIKey of 5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide?
The InChIKey is ZKNSBSDCIZSLCO-ONGXEEELSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8-6-10(7-16-8)12(14)13-9(2)11-4-3-5-15-11/h6-7,9,11H,3-5H2,1-2H3,(H,13,14)/t9-,11-/m0/s1.
What are the key properties of 5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide?
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 1247088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).