N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,1-dioxothiane-4-carboxamide

C17H24N2O5S — CID 91779077

IUPACN-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,1-dioxothiane-4-carboxamide
SMILESCc1ccc(O[C@H]2CCOC[C@H]2NC(=O)C2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C17H24N2O5S/c1-12-2-3-14(10-18-12)24-16-4-7-23-11-15(16)19-17(20)13-5-8-25(21,22)9-6-13/h2-3,10,13,15-16H,4-9,11H2,1H3,(H,19,20)/t15-,16+/m1/s1
InChIKeyJRFCDOQDAFZSOA-CVEARBPZSA-N
MW368.46 g/mol
LogP0.87
Rot. Bonds4

About N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,1-dioxothiane-4-carboxamide

N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,1-dioxothiane-4-carboxamide (PubChem CID 91779077) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,1-dioxothiane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,1-dioxothiane-4-carboxamide
PubChem CID91779077
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC NameN-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,1-dioxothiane-4-carboxamide
SMILESCc1ccc(O[C@H]2CCOC[C@H]2NC(=O)C2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C17H24N2O5S/c1-12-2-3-14(10-18-12)24-16-4-7-23-11-15(16)19-17(20)13-5-8-25(21,22)9-6-13/h2-3,10,13,15-16H,4-9,11H2,1H3,(H,19,20)/t15-,16+/m1/s1
InChIKeyJRFCDOQDAFZSOA-CVEARBPZSA-N
XLogP0.87
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,1-dioxothiane-4-carboxamide?
The IUPAC name of N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,1-dioxothiane-4-carboxamide (CID 91779077) is N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,1-dioxothiane-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,1-dioxothiane-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,1-dioxothiane-4-carboxamide is Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)C2CCS(=O)(=O)CC2)cn1.
What is the InChIKey of N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,1-dioxothiane-4-carboxamide?
The InChIKey is JRFCDOQDAFZSOA-CVEARBPZSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-12-2-3-14(10-18-12)24-16-4-7-23-11-15(16)19-17(20)13-5-8-25(21,22)9-6-13/h2-3,10,13,15-16H,4-9,11H2,1H3,(H,19,20)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,1-dioxothiane-4-carboxamide?
N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,1-dioxothiane-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,1-dioxothiane-4-carboxamide is sourced from PubChem (CID 91779077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).