N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide

C12H17NO4S — CID 99108035

IUPACN-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide
SMILESC[C@H]1OCC[C@H]1[S@](=O)CC(=O)NCc1ccco1
InChIInChI=1S/C12H17NO4S/c1-9-11(4-6-16-9)18(15)8-12(14)13-7-10-3-2-5-17-10/h2-3,5,9,11H,4,6-8H2,1H3,(H,13,14)/t9-,11-,18-/m1/s1
InChIKeyFQXFYNSKGRWLJH-RJFHMIALSA-N
MW271.34 g/mol
LogP0.82
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide

N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide (PubChem CID 99108035) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide
PubChem CID99108035
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide
SMILESC[C@H]1OCC[C@H]1[S@](=O)CC(=O)NCc1ccco1
InChIInChI=1S/C12H17NO4S/c1-9-11(4-6-16-9)18(15)8-12(14)13-7-10-3-2-5-17-10/h2-3,5,9,11H,4,6-8H2,1H3,(H,13,14)/t9-,11-,18-/m1/s1
InChIKeyFQXFYNSKGRWLJH-RJFHMIALSA-N
XLogP0.82
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide (CID 99108035) is N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide is C[C@H]1OCC[C@H]1[S@](=O)CC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide?
The InChIKey is FQXFYNSKGRWLJH-RJFHMIALSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-9-11(4-6-16-9)18(15)8-12(14)13-7-10-3-2-5-17-10/h2-3,5,9,11H,4,6-8H2,1H3,(H,13,14)/t9-,11-,18-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide?
N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide has a molecular weight of 271.34 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide is sourced from PubChem (CID 99108035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).