2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile

C11H19N3O2S — CID 63912881

IUPAC2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CN1CCS(=O)(=O)CC1)C1CC1
InChIInChI=1S/C11H19N3O2S/c1-13-11(8-12,10-2-3-10)9-14-4-6-17(15,16)7-5-14/h10,13H,2-7,9H2,1H3
InChIKeyLDYOAUVMOGCCKO-UHFFFAOYSA-N
MW257.36 g/mol
LogP-0.39
Rot. Bonds4

About 2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile

2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile (PubChem CID 63912881) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile
PubChem CID63912881
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CN1CCS(=O)(=O)CC1)C1CC1
InChIInChI=1S/C11H19N3O2S/c1-13-11(8-12,10-2-3-10)9-14-4-6-17(15,16)7-5-14/h10,13H,2-7,9H2,1H3
InChIKeyLDYOAUVMOGCCKO-UHFFFAOYSA-N
XLogP-0.39
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile (CID 63912881) is 2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile is CNC(C#N)(CN1CCS(=O)(=O)CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile?
The InChIKey is LDYOAUVMOGCCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-13-11(8-12,10-2-3-10)9-14-4-6-17(15,16)7-5-14/h10,13H,2-7,9H2,1H3.
What are the key properties of 2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile?
2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile has a molecular weight of 257.36 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile is sourced from PubChem (CID 63912881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).