5-(methoxymethyl)-N-[(3S)-oxan-3-yl]thiophene-2-carboxamide

C12H17NO3S — CID 28665351

IUPAC5-(methoxymethyl)-N-[(3S)-oxan-3-yl]thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@H]2CCCOC2)s1
InChIInChI=1S/C12H17NO3S/c1-15-8-10-4-5-11(17-10)12(14)13-9-3-2-6-16-7-9/h4-5,9H,2-3,6-8H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyYUGBWVCOQBPVPU-VIFPVBQESA-N
MW255.34 g/mol
LogP1.80
Rot. Bonds4

About 5-(methoxymethyl)-N-[(3S)-oxan-3-yl]thiophene-2-carboxamide

5-(methoxymethyl)-N-[(3S)-oxan-3-yl]thiophene-2-carboxamide (PubChem CID 28665351) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[(3S)-oxan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[(3S)-oxan-3-yl]thiophene-2-carboxamide
PubChem CID28665351
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name5-(methoxymethyl)-N-[(3S)-oxan-3-yl]thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@H]2CCCOC2)s1
InChIInChI=1S/C12H17NO3S/c1-15-8-10-4-5-11(17-10)12(14)13-9-3-2-6-16-7-9/h4-5,9H,2-3,6-8H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyYUGBWVCOQBPVPU-VIFPVBQESA-N
XLogP1.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[(3S)-oxan-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[(3S)-oxan-3-yl]thiophene-2-carboxamide (CID 28665351) is 5-(methoxymethyl)-N-[(3S)-oxan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[(3S)-oxan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[(3S)-oxan-3-yl]thiophene-2-carboxamide is COCc1ccc(C(=O)N[C@H]2CCCOC2)s1.
What is the InChIKey of 5-(methoxymethyl)-N-[(3S)-oxan-3-yl]thiophene-2-carboxamide?
The InChIKey is YUGBWVCOQBPVPU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17NO3S/c1-15-8-10-4-5-11(17-10)12(14)13-9-3-2-6-16-7-9/h4-5,9H,2-3,6-8H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of 5-(methoxymethyl)-N-[(3S)-oxan-3-yl]thiophene-2-carboxamide?
5-(methoxymethyl)-N-[(3S)-oxan-3-yl]thiophene-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[(3S)-oxan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 28665351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).