(NE,R)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfinamide

C9H13NOS2 — CID 62705616

IUPAC(NE,R)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1cccs1
InChIInChI=1S/C9H13NOS2/c1-9(2,3)13(11)10-7-8-5-4-6-12-8/h4-7H,1-3H3/b10-7+/t13-/m1/s1
InChIKeyYYSVBNDDIUTFLR-UTSBKAFOSA-N
MW215.34 g/mol
LogP2.63
Rot. Bonds2

About (NE,R)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfinamide

(NE,R)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfinamide (PubChem CID 62705616) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (NE,R)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfinamide
PubChem CID62705616
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Name(NE,R)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1cccs1
InChIInChI=1S/C9H13NOS2/c1-9(2,3)13(11)10-7-8-5-4-6-12-8/h4-7H,1-3H3/b10-7+/t13-/m1/s1
InChIKeyYYSVBNDDIUTFLR-UTSBKAFOSA-N
XLogP2.63
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.63
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,R)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfinamide?
The IUPAC name of (NE,R)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfinamide (CID 62705616) is (NE,R)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfinamide.
What is the SMILES notation for (NE,R)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfinamide?
The canonical SMILES for (NE,R)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C/c1cccs1.
What is the InChIKey of (NE,R)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfinamide?
The InChIKey is YYSVBNDDIUTFLR-UTSBKAFOSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-9(2,3)13(11)10-7-8-5-4-6-12-8/h4-7H,1-3H3/b10-7+/t13-/m1/s1.
What are the key properties of (NE,R)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfinamide?
(NE,R)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfinamide has a molecular weight of 215.34 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfinamide is sourced from PubChem (CID 62705616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).