(2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile

C24H32N4O4S — CID 67073488

IUPAC(2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCS(=O)(=O)CC2)n3[C@H](C)C#N)CC1
InChIInChI=1S/C24H32N4O4S/c1-17(2)26-8-6-20(7-9-26)32-21-4-5-22-19(14-21)15-23(28(22)18(3)16-25)24(29)27-10-12-33(30,31)13-11-27/h4-5,14-15,17-18,20H,6-13H2,1-3H3/t18-/m1/s1
InChIKeyZCDCSYZBEAADFG-GOSISDBHSA-N
MW472.61 g/mol
LogP2.85
Rot. Bonds5

About (2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile

(2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile (PubChem CID 67073488) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is (2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile.

Molecular Properties

Compound Name(2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile
PubChem CID67073488
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name(2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCS(=O)(=O)CC2)n3[C@H](C)C#N)CC1
InChIInChI=1S/C24H32N4O4S/c1-17(2)26-8-6-20(7-9-26)32-21-4-5-22-19(14-21)15-23(28(22)18(3)16-25)24(29)27-10-12-33(30,31)13-11-27/h4-5,14-15,17-18,20H,6-13H2,1-3H3/t18-/m1/s1
InChIKeyZCDCSYZBEAADFG-GOSISDBHSA-N
XLogP2.85
TPSA95.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile?
The IUPAC name of (2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile (CID 67073488) is (2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile.
What is the SMILES notation for (2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile?
The canonical SMILES for (2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile is CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCS(=O)(=O)CC2)n3[C@H](C)C#N)CC1.
What is the InChIKey of (2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile?
The InChIKey is ZCDCSYZBEAADFG-GOSISDBHSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-17(2)26-8-6-20(7-9-26)32-21-4-5-22-19(14-21)15-23(28(22)18(3)16-25)24(29)27-10-12-33(30,31)13-11-27/h4-5,14-15,17-18,20H,6-13H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile?
(2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile has a molecular weight of 472.61 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile is sourced from PubChem (CID 67073488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).