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

C8H17NOS — CID 11344299

IUPAC(NE,S)-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+/t11-/m0/s1
InChIKeyFUZSYHCWXNPGMV-LAHYYIKRSA-N
MW175.30 g/mol
LogP2.18
Rot. Bonds2

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

(NE,S)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide (PubChem CID 11344299) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is (NE,S)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide
PubChem CID11344299
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name(NE,S)-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+/t11-/m0/s1
InChIKeyFUZSYHCWXNPGMV-LAHYYIKRSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (NE,S)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide?
The IUPAC name of (NE,S)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide (CID 11344299) is (NE,S)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide.
What is the SMILES notation for (NE,S)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide?
The canonical SMILES for (NE,S)-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,S)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide?
The InChIKey is FUZSYHCWXNPGMV-LAHYYIKRSA-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+/t11-/m0/s1.
What are the key properties of (NE,S)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide?
(NE,S)-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,S)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide is sourced from PubChem (CID 11344299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).