(NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide

C13H17N3OS — CID 87212835

IUPAC(NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\[S@@](=O)C(C)(C)C)c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H17N3OS/c1-9(16-18(17)13(2,3)4)10-5-6-12-11(7-10)8-14-15-12/h5-8H,1-4H3,(H,14,15)/b16-9+/t18-/m0/s1
InChIKeyLTWHGFBGIFBMLF-WBNHJWIASA-N
MW263.37 g/mol
LogP2.83
Rot. Bonds2

About (NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide

(NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 87212835) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is (NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID87212835
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name(NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\[S@@](=O)C(C)(C)C)c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H17N3OS/c1-9(16-18(17)13(2,3)4)10-5-6-12-11(7-10)8-14-15-12/h5-8H,1-4H3,(H,14,15)/b16-9+/t18-/m0/s1
InChIKeyLTWHGFBGIFBMLF-WBNHJWIASA-N
XLogP2.83
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine
CID 87086002
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
N-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine
CID 90281688
N-methyl-1H-indazole-5-carboxamide
CID 22934041
(NE,R)-2-methyl-N-(1-pyridin-3-ylethylidene)propane-2-sulfinamide
CID 53247809
N'-amino-1H-indazole-5-carboximidamide
CID 69029061
N-(dimethylaminomethylidene)-1H-indazole-5-carboxamide
CID 141183520
(NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide
CID 170789345
ethane;5-methyl-1H-indazole
CID 178026047
N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide
CID 22933798
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate
CID 80999514

Frequently Asked Questions

What is the IUPAC name of (NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide (CID 87212835) is (NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide is C/C(=N\[S@@](=O)C(C)(C)C)c1ccc2[nH]ncc2c1.
What is the InChIKey of (NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is LTWHGFBGIFBMLF-WBNHJWIASA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(16-18(17)13(2,3)4)10-5-6-12-11(7-10)8-14-15-12/h5-8H,1-4H3,(H,14,15)/b16-9+/t18-/m0/s1.
What are the key properties of (NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide?
(NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 263.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 87212835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).