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

C14H17NO2S — CID 53015447

IUPAC6-phenyl-N-propan-2-yl-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC(C)NC(=O)C1=C(c2ccccc2)OCCS1
InChIInChI=1S/C14H17NO2S/c1-10(2)15-14(16)13-12(17-8-9-18-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16)
InChIKeyKLWXMOUKENCIAO-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.64
Rot. Bonds3

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

6-phenyl-N-propan-2-yl-2,3-dihydro-1,4-oxathiine-5-carboxamide (PubChem CID 53015447) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 6-phenyl-N-propan-2-yl-2,3-dihydro-1,4-oxathiine-5-carboxamide.

Molecular Properties

Compound Name6-phenyl-N-propan-2-yl-2,3-dihydro-1,4-oxathiine-5-carboxamide
PubChem CID53015447
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name6-phenyl-N-propan-2-yl-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC(C)NC(=O)C1=C(c2ccccc2)OCCS1
InChIInChI=1S/C14H17NO2S/c1-10(2)15-14(16)13-12(17-8-9-18-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16)
InChIKeyKLWXMOUKENCIAO-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-propan-2-yl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The IUPAC name of 6-phenyl-N-propan-2-yl-2,3-dihydro-1,4-oxathiine-5-carboxamide (CID 53015447) is 6-phenyl-N-propan-2-yl-2,3-dihydro-1,4-oxathiine-5-carboxamide.
What is the SMILES notation for 6-phenyl-N-propan-2-yl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The canonical SMILES for 6-phenyl-N-propan-2-yl-2,3-dihydro-1,4-oxathiine-5-carboxamide is CC(C)NC(=O)C1=C(c2ccccc2)OCCS1.
What is the InChIKey of 6-phenyl-N-propan-2-yl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The InChIKey is KLWXMOUKENCIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-10(2)15-14(16)13-12(17-8-9-18-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16).
What are the key properties of 6-phenyl-N-propan-2-yl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
6-phenyl-N-propan-2-yl-2,3-dihydro-1,4-oxathiine-5-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-propan-2-yl-2,3-dihydro-1,4-oxathiine-5-carboxamide is sourced from PubChem (CID 53015447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).