(NE)-2-methyl-N-(oxan-4-ylmethylidene)propane-2-sulfinamide

C10H19NO2S — CID 87243728

IUPAC(NE)-2-methyl-N-(oxan-4-ylmethylidene)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C/C1CCOCC1
InChIInChI=1S/C10H19NO2S/c1-10(2,3)14(12)11-8-9-4-6-13-7-5-9/h8-9H,4-7H2,1-3H3/b11-8+
InChIKeyISEYRWAHITWIMU-DHZHZOJOSA-N
MW217.33 g/mol
LogP1.95
Rot. Bonds2

About (NE)-2-methyl-N-(oxan-4-ylmethylidene)propane-2-sulfinamide

(NE)-2-methyl-N-(oxan-4-ylmethylidene)propane-2-sulfinamide (PubChem CID 87243728) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is (NE)-2-methyl-N-(oxan-4-ylmethylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-2-methyl-N-(oxan-4-ylmethylidene)propane-2-sulfinamide
PubChem CID87243728
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name(NE)-2-methyl-N-(oxan-4-ylmethylidene)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C/C1CCOCC1
InChIInChI=1S/C10H19NO2S/c1-10(2,3)14(12)11-8-9-4-6-13-7-5-9/h8-9H,4-7H2,1-3H3/b11-8+
InChIKeyISEYRWAHITWIMU-DHZHZOJOSA-N
XLogP1.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.95
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-(oxan-4-ylmethylidene)propane-2-sulfinamide?
The IUPAC name of (NE)-2-methyl-N-(oxan-4-ylmethylidene)propane-2-sulfinamide (CID 87243728) is (NE)-2-methyl-N-(oxan-4-ylmethylidene)propane-2-sulfinamide.
What is the SMILES notation for (NE)-2-methyl-N-(oxan-4-ylmethylidene)propane-2-sulfinamide?
The canonical SMILES for (NE)-2-methyl-N-(oxan-4-ylmethylidene)propane-2-sulfinamide is CC(C)(C)S(=O)/N=C/C1CCOCC1.
What is the InChIKey of (NE)-2-methyl-N-(oxan-4-ylmethylidene)propane-2-sulfinamide?
The InChIKey is ISEYRWAHITWIMU-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-10(2,3)14(12)11-8-9-4-6-13-7-5-9/h8-9H,4-7H2,1-3H3/b11-8+.
What are the key properties of (NE)-2-methyl-N-(oxan-4-ylmethylidene)propane-2-sulfinamide?
(NE)-2-methyl-N-(oxan-4-ylmethylidene)propane-2-sulfinamide has a molecular weight of 217.33 g/mol, XLogP of 1.95, 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-(oxan-4-ylmethylidene)propane-2-sulfinamide is sourced from PubChem (CID 87243728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).