(S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide

C9H15N3OS — CID 86711991

IUPAC(S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide
SMILESCn1cc(C=N[S@@](=O)C(C)(C)C)cn1
InChIInChI=1S/C9H15N3OS/c1-9(2,3)14(13)11-6-8-5-10-12(4)7-8/h5-7H,1-4H3/t14-/m0/s1
InChIKeyUOISCRINJGHLGV-AWEZNQCLSA-N
MW213.31 g/mol
LogP1.30
Rot. Bonds2

About (S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide

(S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide (PubChem CID 86711991) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide
PubChem CID86711991
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name(S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide
SMILESCn1cc(C=N[S@@](=O)C(C)(C)C)cn1
InChIInChI=1S/C9H15N3OS/c1-9(2,3)14(13)11-6-8-5-10-12(4)7-8/h5-7H,1-4H3/t14-/m0/s1
InChIKeyUOISCRINJGHLGV-AWEZNQCLSA-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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Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide (CID 86711991) is (S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide is Cn1cc(C=N[S@@](=O)C(C)(C)C)cn1.
What is the InChIKey of (S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide?
The InChIKey is UOISCRINJGHLGV-AWEZNQCLSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-9(2,3)14(13)11-6-8-5-10-12(4)7-8/h5-7H,1-4H3/t14-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide?
(S)-2-methyl-N-[(1-methylpyrazol-4-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 (S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide is sourced from PubChem (CID 86711991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).