2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide

C9H15N3OS — CID 170985246

IUPAC2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide
SMILESCn1nccc1C=NS(=O)C(C)(C)C
InChIInChI=1S/C9H15N3OS/c1-9(2,3)14(13)11-7-8-5-6-10-12(8)4/h5-7H,1-4H3
InChIKeyHTDCNMAGLPNSPV-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.30
Rot. Bonds2

About 2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide

2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide (PubChem CID 170985246) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide
PubChem CID170985246
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide
SMILESCn1nccc1C=NS(=O)C(C)(C)C
InChIInChI=1S/C9H15N3OS/c1-9(2,3)14(13)11-7-8-5-6-10-12(8)4/h5-7H,1-4H3
InChIKeyHTDCNMAGLPNSPV-UHFFFAOYSA-N
XLogP1.30
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(NE,R)-2-methyl-N-[(1-methylindazol-5-yl)methylidene]propane-2-sulfinamide
CID 146665059
(R)-2-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylidene]propane-2-sulfinamide
CID 172783759
methanol;2-methylpyrazole-3-carbaldehyde
CID 143813492
(NE,S)-N-[(3-bromo-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 163337443
(NE)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide
CID 87338803
(NE)-N-[(2,6-dimethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 87750973
(NE,S)-N-[(6-bromo-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 163337448
(NE,R)-N-[[6-[(E)-[(R)-tert-butylsulfinyl]iminomethyl]dibenzofuran-4-yl]methylidene]-2-methylpropane-2-sulfinamide
CID 11122880
2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide
CID 138705555
(NE)-2-methyl-N-[(2-piperazin-1-yl-3-pyridinyl)methylidene]propane-2-sulfinamide
CID 142829451
1-methyl-5-(2-nitroethenyl)pyrazole
CID 168664798
(R)-N-[(6-methoxy-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67503979

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide (CID 170985246) is 2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide is Cn1nccc1C=NS(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide?
The InChIKey is HTDCNMAGLPNSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-9(2,3)14(13)11-7-8-5-6-10-12(8)4/h5-7H,1-4H3.
What are the key properties of 2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide?
2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide has a molecular weight of 213.31 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylpyrazol-3-yl)methylidene]propane-2-sulfinamide is sourced from PubChem (CID 170985246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).