N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide

C15H22N2O3S — CID 94083431

IUPACN-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1cccs1
InChIInChI=1S/C15H22N2O3S/c18-15(14-2-1-9-21-14)16-10-13(12-3-6-20-11-12)17-4-7-19-8-5-17/h1-2,9,12-13H,3-8,10-11H2,(H,16,18)/t12-,13+/m0/s1
InChIKeyRPCIBRXQNVLOOF-QWHCGFSZSA-N
MW310.42 g/mol
LogP1.22
Rot. Bonds5

About N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide

N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide (PubChem CID 94083431) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
PubChem CID94083431
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1cccs1
InChIInChI=1S/C15H22N2O3S/c18-15(14-2-1-9-21-14)16-10-13(12-3-6-20-11-12)17-4-7-19-8-5-17/h1-2,9,12-13H,3-8,10-11H2,(H,16,18)/t12-,13+/m0/s1
InChIKeyRPCIBRXQNVLOOF-QWHCGFSZSA-N
XLogP1.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide (CID 94083431) is N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide is O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1cccs1.
What is the InChIKey of N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is RPCIBRXQNVLOOF-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-15(14-2-1-9-21-14)16-10-13(12-3-6-20-11-12)17-4-7-19-8-5-17/h1-2,9,12-13H,3-8,10-11H2,(H,16,18)/t12-,13+/m0/s1.
What are the key properties of N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide?
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 94083431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).