(NE,R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide

C9H14N2OS2 — CID 118406508

IUPAC(NE,R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide
SMILESC/C(=N\[S@](=O)C(C)(C)C)c1nccs1
InChIInChI=1S/C9H14N2OS2/c1-7(8-10-5-6-13-8)11-14(12)9(2,3)4/h5-6H,1-4H3/b11-7+/t14-/m1/s1
InChIKeyPLLHWNJEOZWYCB-DPQIITEBSA-N
MW230.36 g/mol
LogP2.41
Rot. Bonds2

About (NE,R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide

(NE,R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide (PubChem CID 118406508) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is (NE,R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide
PubChem CID118406508
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC Name(NE,R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide
SMILESC/C(=N\[S@](=O)C(C)(C)C)c1nccs1
InChIInChI=1S/C9H14N2OS2/c1-7(8-10-5-6-13-8)11-14(12)9(2,3)4/h5-6H,1-4H3/b11-7+/t14-/m1/s1
InChIKeyPLLHWNJEOZWYCB-DPQIITEBSA-N
XLogP2.41
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.41
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

(R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide
CID 123835998
(NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 59764141
(NE,S)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide
CID 11492289
(NE,R)-N-[1-(7-bromo-3-chlorothieno[2,3-c]pyridin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 118424740
methyl N-methyl-1,3-thiazole-2-carboximidothioate
CID 18721450
trimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium
CID 156598389
(NE,S)-2-methyl-N-[1-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide
CID 51063977
2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone
CID 160500283
CID 69459233
CID 69459233
N-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 123908069
(NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide
CID 156776974
[1-(1,3-thiazol-2-yl)ethylideneamino] cyclohexanecarboxylate
CID 3830711

Frequently Asked Questions

What is the IUPAC name of (NE,R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide?
The IUPAC name of (NE,R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide (CID 118406508) is (NE,R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide.
What is the SMILES notation for (NE,R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide?
The canonical SMILES for (NE,R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide is C/C(=N\[S@](=O)C(C)(C)C)c1nccs1.
What is the InChIKey of (NE,R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide?
The InChIKey is PLLHWNJEOZWYCB-DPQIITEBSA-N. The full InChI is InChI=1S/C9H14N2OS2/c1-7(8-10-5-6-13-8)11-14(12)9(2,3)4/h5-6H,1-4H3/b11-7+/t14-/m1/s1.
What are the key properties of (NE,R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide?
(NE,R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide has a molecular weight of 230.36 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-2-methyl-N-[1-(1,3-thiazol-2-yl)ethylidene]propane-2-sulfinamide is sourced from PubChem (CID 118406508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).