(2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide

C13H17NO4S2 — CID 154869025

IUPAC(2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide
SMILESC=C(C)[C@@H]1OCC[C@@H]1C(=O)NS(=O)(=O)c1sccc1C
InChIInChI=1S/C13H17NO4S2/c1-8(2)11-10(4-6-18-11)12(15)14-20(16,17)13-9(3)5-7-19-13/h5,7,10-11H,1,4,6H2,2-3H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyZPIIVWXSNLKYFG-QWRGUYRKSA-N
MW315.42 g/mol
LogP1.84
Rot. Bonds4

About (2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide

(2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide (PubChem CID 154869025) has the molecular formula C13H17NO4S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide
PubChem CID154869025
Molecular FormulaC13H17NO4S2
Molecular Weight315.42 g/mol
Exact Mass315.06
IUPAC Name(2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide
SMILESC=C(C)[C@@H]1OCC[C@@H]1C(=O)NS(=O)(=O)c1sccc1C
InChIInChI=1S/C13H17NO4S2/c1-8(2)11-10(4-6-18-11)12(15)14-20(16,17)13-9(3)5-7-19-13/h5,7,10-11H,1,4,6H2,2-3H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyZPIIVWXSNLKYFG-QWRGUYRKSA-N
XLogP1.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-prop-1-en-2-yl-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 138051841
2-prop-1-en-2-yloxolane-3-carboxylic acid
CID 86775378
(2S,3R)-N-[(5S)-9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2-prop-1-en-2-yloxolane-3-carboxamide
CID 125139482
(2S,3R)-N-[(5R)-9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2-prop-1-en-2-yloxolane-3-carboxamide
CID 125139481
2-cyclopropyl-2-[(3-methylthiophen-2-yl)sulfonylamino]oxyacetic acid
CID 167780643
1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea
CID 13203354
(2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide
CID 124737397
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylthiophene-2-carboxamide
CID 86997815
3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548440
[(1S)-1-(3-acetamidophenyl)ethyl] (2S,3R)-2-prop-1-en-2-yloxolane-3-carboxylate
CID 100700693
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide
CID 71981731
(2S,3R)-N-(3-bromophenyl)sulfonyl-3-methyloxolane-2-carboxamide
CID 136582516

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide?
The IUPAC name of (2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide (CID 154869025) is (2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide is C=C(C)[C@@H]1OCC[C@@H]1C(=O)NS(=O)(=O)c1sccc1C.
What is the InChIKey of (2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide?
The InChIKey is ZPIIVWXSNLKYFG-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H17NO4S2/c1-8(2)11-10(4-6-18-11)12(15)14-20(16,17)13-9(3)5-7-19-13/h5,7,10-11H,1,4,6H2,2-3H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of (2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide?
(2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(3-methylthiophen-2-yl)sulfonyl-2-prop-1-en-2-yloxolane-3-carboxamide is sourced from PubChem (CID 154869025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).