N-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide

C16H21N3OS — CID 141464942

IUPACN-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C(CCC1CC1)c1cccc(C#N)n1
InChIInChI=1S/C16H21N3OS/c1-16(2,3)21(20)19-15(10-9-12-7-8-12)14-6-4-5-13(11-17)18-14/h4-6,12H,7-10H2,1-3H3
InChIKeyULIODFPPHLKZOB-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.39
Rot. Bonds5

About N-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide

N-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide (PubChem CID 141464942) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide
PubChem CID141464942
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C(CCC1CC1)c1cccc(C#N)n1
InChIInChI=1S/C16H21N3OS/c1-16(2,3)21(20)19-15(10-9-12-7-8-12)14-6-4-5-13(11-17)18-14/h4-6,12H,7-10H2,1-3H3
InChIKeyULIODFPPHLKZOB-UHFFFAOYSA-N
XLogP3.39
TPSA66.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide (CID 141464942) is N-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=C(CCC1CC1)c1cccc(C#N)n1.
What is the InChIKey of N-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is ULIODFPPHLKZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-16(2,3)21(20)19-15(10-9-12-7-8-12)14-6-4-5-13(11-17)18-14/h4-6,12H,7-10H2,1-3H3.
What are the key properties of N-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide?
N-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 303.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 141464942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).