(NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide

C8H17NOS — CID 11715266

IUPAC(NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide
SMILESCC(C)/C=N/S(=O)C(C)(C)C
InChIInChI=1S/C8H17NOS/c1-7(2)6-9-11(10)8(3,4)5/h6-7H,1-5H3/b9-6+
InChIKeyFUZSYHCWXNPGMV-RMKNXTFCSA-N
MW175.30 g/mol
LogP2.18
Rot. Bonds2

About (NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide

(NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide (PubChem CID 11715266) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is (NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide
PubChem CID11715266
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name(NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide
SMILESCC(C)/C=N/S(=O)C(C)(C)C
InChIInChI=1S/C8H17NOS/c1-7(2)6-9-11(10)8(3,4)5/h6-7H,1-5H3/b9-6+
InChIKeyFUZSYHCWXNPGMV-RMKNXTFCSA-N
XLogP2.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide?
The IUPAC name of (NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide (CID 11715266) is (NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide.
What is the SMILES notation for (NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide?
The canonical SMILES for (NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide is CC(C)/C=N/S(=O)C(C)(C)C.
What is the InChIKey of (NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide?
The InChIKey is FUZSYHCWXNPGMV-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(2)6-9-11(10)8(3,4)5/h6-7H,1-5H3/b9-6+.
What are the key properties of (NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide?
(NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide has a molecular weight of 175.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide is sourced from PubChem (CID 11715266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).