N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide

C13H23NO4S — CID 133266066

IUPACN-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide
SMILESCC(C)=CCO[C@@H]1CCOC[C@@H]1NS(=O)(=O)C1CC1
InChIInChI=1S/C13H23NO4S/c1-10(2)5-8-18-13-6-7-17-9-12(13)14-19(15,16)11-3-4-11/h5,11-14H,3-4,6-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyVGCRYZROJKKECG-QWHCGFSZSA-N
MW289.40 g/mol
LogP1.21
Rot. Bonds6

About N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide

N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide (PubChem CID 133266066) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide
PubChem CID133266066
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC NameN-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide
SMILESCC(C)=CCO[C@@H]1CCOC[C@@H]1NS(=O)(=O)C1CC1
InChIInChI=1S/C13H23NO4S/c1-10(2)5-8-18-13-6-7-17-9-12(13)14-19(15,16)11-3-4-11/h5,11-14H,3-4,6-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyVGCRYZROJKKECG-QWHCGFSZSA-N
XLogP1.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide (CID 133266066) is N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide is CC(C)=CCO[C@@H]1CCOC[C@@H]1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide?
The InChIKey is VGCRYZROJKKECG-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-10(2)5-8-18-13-6-7-17-9-12(13)14-19(15,16)11-3-4-11/h5,11-14H,3-4,6-9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide?
N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 133266066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).