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

C10H15NOS2 — CID 122358786

IUPAC(NE)-2-methyl-N-[(3-methylthiophen-2-yl)methylidene]propane-2-sulfinamide
SMILESCc1ccsc1/C=N/S(=O)C(C)(C)C
InChIInChI=1S/C10H15NOS2/c1-8-5-6-13-9(8)7-11-14(12)10(2,3)4/h5-7H,1-4H3/b11-7+
InChIKeyXRCKRVAKUKCHBV-YRNVUSSQSA-N
MW229.37 g/mol
LogP2.94
Rot. Bonds2

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

(NE)-2-methyl-N-[(3-methylthiophen-2-yl)methylidene]propane-2-sulfinamide (PubChem CID 122358786) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is (NE)-2-methyl-N-[(3-methylthiophen-2-yl)methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-2-methyl-N-[(3-methylthiophen-2-yl)methylidene]propane-2-sulfinamide
PubChem CID122358786
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC Name(NE)-2-methyl-N-[(3-methylthiophen-2-yl)methylidene]propane-2-sulfinamide
SMILESCc1ccsc1/C=N/S(=O)C(C)(C)C
InChIInChI=1S/C10H15NOS2/c1-8-5-6-13-9(8)7-11-14(12)10(2,3)4/h5-7H,1-4H3/b11-7+
InChIKeyXRCKRVAKUKCHBV-YRNVUSSQSA-N
XLogP2.94
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (NE)-2-methyl-N-[(3-methylthiophen-2-yl)methylidene]propane-2-sulfinamide?
The IUPAC name of (NE)-2-methyl-N-[(3-methylthiophen-2-yl)methylidene]propane-2-sulfinamide (CID 122358786) is (NE)-2-methyl-N-[(3-methylthiophen-2-yl)methylidene]propane-2-sulfinamide.
What is the SMILES notation for (NE)-2-methyl-N-[(3-methylthiophen-2-yl)methylidene]propane-2-sulfinamide?
The canonical SMILES for (NE)-2-methyl-N-[(3-methylthiophen-2-yl)methylidene]propane-2-sulfinamide is Cc1ccsc1/C=N/S(=O)C(C)(C)C.
What is the InChIKey of (NE)-2-methyl-N-[(3-methylthiophen-2-yl)methylidene]propane-2-sulfinamide?
The InChIKey is XRCKRVAKUKCHBV-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H15NOS2/c1-8-5-6-13-9(8)7-11-14(12)10(2,3)4/h5-7H,1-4H3/b11-7+.
What are the key properties of (NE)-2-methyl-N-[(3-methylthiophen-2-yl)methylidene]propane-2-sulfinamide?
(NE)-2-methyl-N-[(3-methylthiophen-2-yl)methylidene]propane-2-sulfinamide has a molecular weight of 229.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-2-methyl-N-[(3-methylthiophen-2-yl)methylidene]propane-2-sulfinamide is sourced from PubChem (CID 122358786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).