(R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide

C13H17N3OS — CID 146627734

IUPAC(R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide
SMILESCn1ncc2c(C=N[S@](=O)C(C)(C)C)cccc21
InChIInChI=1S/C13H17N3OS/c1-13(2,3)18(17)15-8-10-6-5-7-12-11(10)9-14-16(12)4/h5-9H,1-4H3/t18-/m1/s1
InChIKeySFYWXVAKHWJOBX-GOSISDBHSA-N
MW263.37 g/mol
LogP2.45
Rot. Bonds2

About (R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide

(R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide (PubChem CID 146627734) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide
PubChem CID146627734
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name(R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide
SMILESCn1ncc2c(C=N[S@](=O)C(C)(C)C)cccc21
InChIInChI=1S/C13H17N3OS/c1-13(2,3)18(17)15-8-10-6-5-7-12-11(10)9-14-16(12)4/h5-9H,1-4H3/t18-/m1/s1
InChIKeySFYWXVAKHWJOBX-GOSISDBHSA-N
XLogP2.45
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-N-(1H-indazol-4-ylmethylidene)-2-methylpropane-2-sulfinamide
CID 163634014
(NE,R)-2-methyl-N-[(1-methylindazol-5-yl)methylidene]propane-2-sulfinamide
CID 146665059
(NZ)-N-[(1-benzylindol-4-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 176845510
N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337639
(NE,R)-N-[(2-fluoro-3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171666415
2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide
CID 170985246
N-[(2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 102282577
(R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide
CID 156778664
2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide
CID 146665041
(S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide
CID 86711991
N-[(2-ethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 69246123
(NE,R)-N-[(2-bromo-3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 168987790

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide (CID 146627734) is (R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide is Cn1ncc2c(C=N[S@](=O)C(C)(C)C)cccc21.
What is the InChIKey of (R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide?
The InChIKey is SFYWXVAKHWJOBX-GOSISDBHSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-13(2,3)18(17)15-8-10-6-5-7-12-11(10)9-14-16(12)4/h5-9H,1-4H3/t18-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide?
(R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide has a molecular weight of 263.37 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1-methylindazol-4-yl)methylidene]propane-2-sulfinamide is sourced from PubChem (CID 146627734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).