N-cyclopropyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

C14H15NO2S — CID 53015449

IUPACN-cyclopropyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESO=C(NC1CC1)C1=C(c2ccccc2)OCCS1
InChIInChI=1S/C14H15NO2S/c16-14(15-11-6-7-11)13-12(17-8-9-18-13)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChIKeySCFMWSFGDDXXMQ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.40
Rot. Bonds3

About N-cyclopropyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

N-cyclopropyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide (PubChem CID 53015449) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-cyclopropyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
PubChem CID53015449
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-cyclopropyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESO=C(NC1CC1)C1=C(c2ccccc2)OCCS1
InChIInChI=1S/C14H15NO2S/c16-14(15-11-6-7-11)13-12(17-8-9-18-13)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChIKeySCFMWSFGDDXXMQ-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The IUPAC name of N-cyclopropyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide (CID 53015449) is N-cyclopropyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is O=C(NC1CC1)C1=C(c2ccccc2)OCCS1.
What is the InChIKey of N-cyclopropyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The InChIKey is SCFMWSFGDDXXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c16-14(15-11-6-7-11)13-12(17-8-9-18-13)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16).
What are the key properties of N-cyclopropyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
N-cyclopropyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is sourced from PubChem (CID 53015449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).