N-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide

C12H17NO2S — CID 32987482

IUPACN-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide
SMILESCc1ccsc1CNC(=O)C1CCOCC1
InChIInChI=1S/C12H17NO2S/c1-9-4-7-16-11(9)8-13-12(14)10-2-5-15-6-3-10/h4,7,10H,2-3,5-6,8H2,1H3,(H,13,14)
InChIKeyFDSGJNRYYHFINC-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.10
Rot. Bonds3

About N-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide

N-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide (PubChem CID 32987482) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide
PubChem CID32987482
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide
SMILESCc1ccsc1CNC(=O)C1CCOCC1
InChIInChI=1S/C12H17NO2S/c1-9-4-7-16-11(9)8-13-12(14)10-2-5-15-6-3-10/h4,7,10H,2-3,5-6,8H2,1H3,(H,13,14)
InChIKeyFDSGJNRYYHFINC-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide (CID 32987482) is N-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide is Cc1ccsc1CNC(=O)C1CCOCC1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide?
The InChIKey is FDSGJNRYYHFINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-4-7-16-11(9)8-13-12(14)10-2-5-15-6-3-10/h4,7,10H,2-3,5-6,8H2,1H3,(H,13,14).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide?
N-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 32987482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).