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

C10H19NO2S — CID 163198694

IUPAC(NE,R)-2-methyl-N-[1-(oxolan-3-yl)ethylidene]propane-2-sulfinamide
SMILESC/C(=N\[S@](=O)C(C)(C)C)C1CCOC1
InChIInChI=1S/C10H19NO2S/c1-8(9-5-6-13-7-9)11-14(12)10(2,3)4/h9H,5-7H2,1-4H3/b11-8+/t9?,14-/m1/s1
InChIKeyZRFYUFMKNMEVEM-IQVMEFQGSA-N
MW217.33 g/mol
LogP1.95
Rot. Bonds2

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

(NE,R)-2-methyl-N-[1-(oxolan-3-yl)ethylidene]propane-2-sulfinamide (PubChem CID 163198694) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is (NE,R)-2-methyl-N-[1-(oxolan-3-yl)ethylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-2-methyl-N-[1-(oxolan-3-yl)ethylidene]propane-2-sulfinamide
PubChem CID163198694
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name(NE,R)-2-methyl-N-[1-(oxolan-3-yl)ethylidene]propane-2-sulfinamide
SMILESC/C(=N\[S@](=O)C(C)(C)C)C1CCOC1
InChIInChI=1S/C10H19NO2S/c1-8(9-5-6-13-7-9)11-14(12)10(2,3)4/h9H,5-7H2,1-4H3/b11-8+/t9?,14-/m1/s1
InChIKeyZRFYUFMKNMEVEM-IQVMEFQGSA-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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Related Compounds

(R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide
CID 90402650
(NE)-2-methyl-N-(oxan-4-ylmethylidene)propane-2-sulfinamide
CID 87243728
2,2-dimethyl-1-(oxolan-3-yl)butan-1-one
CID 114972062
4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one
CID 65330284
2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)propan-1-one
CID 79052397
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone
CID 104751821
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
(3S)-oxolane-3-carboxamide
CID 67048684
2-methyl-1-[(3S)-oxolan-3-yl]propan-1-one
CID 58423021
(2S)-2-bromo-1-[(3R)-oxolan-3-yl]propan-1-one
CID 124710732
N-(2-hydroxy-2-methylpropyl)-N-methyloxolane-3-carboxamide
CID 79381210
N-(4-hydroxy-2-methylbutan-2-yl)oxolane-3-carboxamide
CID 115869901

Frequently Asked Questions

What is the IUPAC name of (NE,R)-2-methyl-N-[1-(oxolan-3-yl)ethylidene]propane-2-sulfinamide?
The IUPAC name of (NE,R)-2-methyl-N-[1-(oxolan-3-yl)ethylidene]propane-2-sulfinamide (CID 163198694) is (NE,R)-2-methyl-N-[1-(oxolan-3-yl)ethylidene]propane-2-sulfinamide.
What is the SMILES notation for (NE,R)-2-methyl-N-[1-(oxolan-3-yl)ethylidene]propane-2-sulfinamide?
The canonical SMILES for (NE,R)-2-methyl-N-[1-(oxolan-3-yl)ethylidene]propane-2-sulfinamide is C/C(=N\[S@](=O)C(C)(C)C)C1CCOC1.
What is the InChIKey of (NE,R)-2-methyl-N-[1-(oxolan-3-yl)ethylidene]propane-2-sulfinamide?
The InChIKey is ZRFYUFMKNMEVEM-IQVMEFQGSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(9-5-6-13-7-9)11-14(12)10(2,3)4/h9H,5-7H2,1-4H3/b11-8+/t9?,14-/m1/s1.
What are the key properties of (NE,R)-2-methyl-N-[1-(oxolan-3-yl)ethylidene]propane-2-sulfinamide?
(NE,R)-2-methyl-N-[1-(oxolan-3-yl)ethylidene]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,R)-2-methyl-N-[1-(oxolan-3-yl)ethylidene]propane-2-sulfinamide is sourced from PubChem (CID 163198694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).