(S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide

C17H18N4OS — CID 172747005

IUPAC(S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N=Cc1ncccc1-n1ncc2ccccc21
InChIInChI=1S/C17H18N4OS/c1-17(2,3)23(22)20-12-14-16(9-6-10-18-14)21-15-8-5-4-7-13(15)11-19-21/h4-12H,1-3H3/t23-/m0/s1
InChIKeyJVZHJGQBSGUZBS-QHCPKHFHSA-N
MW326.43 g/mol
LogP3.30
Rot. Bonds3

About (S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide

(S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 172747005) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is (S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID172747005
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name(S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N=Cc1ncccc1-n1ncc2ccccc21
InChIInChI=1S/C17H18N4OS/c1-17(2,3)23(22)20-12-14-16(9-6-10-18-14)21-15-8-5-4-7-13(15)11-19-21/h4-12H,1-3H3/t23-/m0/s1
InChIKeyJVZHJGQBSGUZBS-QHCPKHFHSA-N
XLogP3.30
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide
CID 165403077
2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide
CID 139413501
1-(2-indazol-1-ylphenyl)ethanone
CID 15712135
(R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide
CID 146627734
2-(2-indazol-1-ylphenyl)pyridine-3-carboxamide
CID 174764256
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)indazole
CID 154224405
1-(2-prop-2-enylphenyl)indazole
CID 102233917
(R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide
CID 172783759
1-(2-indazol-1-ylphenyl)ethanamine
CID 62139804
1-(4-methyl-2-pyridinyl)indazole
CID 58206221
2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-indazol-1-yl-2-pyridinyl)methanone
CID 100728066
N-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 69246123

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide (CID 172747005) is (S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N=Cc1ncccc1-n1ncc2ccccc21.
What is the InChIKey of (S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is JVZHJGQBSGUZBS-QHCPKHFHSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-17(2,3)23(22)20-12-14-16(9-6-10-18-14)21-15-8-5-4-7-13(15)11-19-21/h4-12H,1-3H3/t23-/m0/s1.
What are the key properties of (S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
(S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 326.43 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 172747005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).