(NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide

C16H28N2O4S — CID 156723037

IUPAC(NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC1(C)OCC(C(=O)N2CCC(/C=N\S(=O)C(C)(C)C)CC2)O1
InChIInChI=1S/C16H28N2O4S/c1-15(2,3)23(20)17-10-12-6-8-18(9-7-12)14(19)13-11-21-16(4,5)22-13/h10,12-13H,6-9,11H2,1-5H3/b17-10-
InChIKeyLKJYFIHLTWDBMZ-YVLHZVERSA-N
MW344.48 g/mol
LogP1.91
Rot. Bonds3

About (NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide

(NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 156723037) has the molecular formula C16H28N2O4S and a molecular weight of 344.48 g/mol. Its IUPAC name is (NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide
PubChem CID156723037
Molecular FormulaC16H28N2O4S
Molecular Weight344.48 g/mol
Exact Mass344.18
IUPAC Name(NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC1(C)OCC(C(=O)N2CCC(/C=N\S(=O)C(C)(C)C)CC2)O1
InChIInChI=1S/C16H28N2O4S/c1-15(2,3)23(20)17-10-12-6-8-18(9-7-12)14(19)13-11-21-16(4,5)22-13/h10,12-13H,6-9,11H2,1-5H3/b17-10-
InChIKeyLKJYFIHLTWDBMZ-YVLHZVERSA-N
XLogP1.91
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide (CID 156723037) is (NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide is CC1(C)OCC(C(=O)N2CCC(/C=N\S(=O)C(C)(C)C)CC2)O1.
What is the InChIKey of (NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is LKJYFIHLTWDBMZ-YVLHZVERSA-N. The full InChI is InChI=1S/C16H28N2O4S/c1-15(2,3)23(20)17-10-12-6-8-18(9-7-12)14(19)13-11-21-16(4,5)22-13/h10,12-13H,6-9,11H2,1-5H3/b17-10-.
What are the key properties of (NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide?
(NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 344.48 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 156723037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).