(R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide

C10H19NO3S — CID 172851761

IUPAC(R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC1(C)OC[C@@H](C=N[S@](=O)C(C)(C)C)O1
InChIInChI=1S/C10H19NO3S/c1-9(2,3)15(12)11-6-8-7-13-10(4,5)14-8/h6,8H,7H2,1-5H3/t8-,15-/m1/s1
InChIKeyYDXBJKRYFUXHRJ-ANRSDYALSA-N
MW233.33 g/mol
LogP1.67
Rot. Bonds2

About (R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide

(R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 172851761) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is (R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide
PubChem CID172851761
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name(R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC1(C)OC[C@@H](C=N[S@](=O)C(C)(C)C)O1
InChIInChI=1S/C10H19NO3S/c1-9(2,3)15(12)11-6-8-7-13-10(4,5)14-8/h6,8H,7H2,1-5H3/t8-,15-/m1/s1
InChIKeyYDXBJKRYFUXHRJ-ANRSDYALSA-N
XLogP1.67
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

(NZ)-N-[[1-(2,2-dimethyl-1,3-dioxolane-4-carbonyl)piperidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide
CID 156723037
(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734
(4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane
CID 89090378
(S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide
CID 159372878
3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enal
CID 72833007
N-tert-butylsulfinylmethanimidoyl iodide
CID 154006692
(E)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid
CID 12861744
(E)-N-[(4-chlorophenyl)methoxy]-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine
CID 10707121
2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide
CID 171775288
4-(3-bromoprop-1-enyl)-2,2-dimethyl-1,3-dioxolane
CID 72828688
2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 69412912
1-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-1-en-3-one
CID 71339409

Frequently Asked Questions

What is the IUPAC name of (R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide (CID 172851761) is (R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide is CC1(C)OC[C@@H](C=N[S@](=O)C(C)(C)C)O1.
What is the InChIKey of (R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is YDXBJKRYFUXHRJ-ANRSDYALSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-9(2,3)15(12)11-6-8-7-13-10(4,5)14-8/h6,8H,7H2,1-5H3/t8-,15-/m1/s1.
What are the key properties of (R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 233.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 172851761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).