(NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide

C14H29NOS — CID 16753574

IUPAC(NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide
SMILESCCCCCCCC/C(C)=N/[S@](=O)C(C)(C)C
InChIInChI=1S/C14H29NOS/c1-6-7-8-9-10-11-12-13(2)15-17(16)14(3,4)5/h6-12H2,1-5H3/b15-13+/t17-/m1/s1
InChIKeyFROMPJZJNJGYLR-LCJXNMAOSA-N
MW259.46 g/mol
LogP4.66
Rot. Bonds8

About (NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide

(NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide (PubChem CID 16753574) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is (NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide
PubChem CID16753574
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name(NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide
SMILESCCCCCCCC/C(C)=N/[S@](=O)C(C)(C)C
InChIInChI=1S/C14H29NOS/c1-6-7-8-9-10-11-12-13(2)15-17(16)14(3,4)5/h6-12H2,1-5H3/b15-13+/t17-/m1/s1
InChIKeyFROMPJZJNJGYLR-LCJXNMAOSA-N
XLogP4.66
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide
CID 11242779
(S)-N-butan-2-ylidene-2-methylpropane-2-sulfinamide
CID 129363243
(NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide
CID 177419638
N-tridecan-2-ylidenehydroxylamine
CID 74054313
N-tetradecan-2-ylidenehydroxylamine
CID 140688122
2-methyl-N-[(E)-undecan-2-ylideneamino]propan-2-amine
CID 21412758
(NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide
CID 11265085
(NE,S)-N-decylidene-2-methylpropane-2-sulfinamide
CID 57331784
(NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide
CID 90089971
N,N'-bis(undecan-2-ylideneamino)oxamide
CID 3097994
[(E)-nonan-2-ylideneamino] acetate
CID 87079098
N-[(Z)-decan-2-ylideneamino]-N-methylmethanamine
CID 6506660

Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide (CID 16753574) is (NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide is CCCCCCCC/C(C)=N/[S@](=O)C(C)(C)C.
What is the InChIKey of (NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide?
The InChIKey is FROMPJZJNJGYLR-LCJXNMAOSA-N. The full InChI is InChI=1S/C14H29NOS/c1-6-7-8-9-10-11-12-13(2)15-17(16)14(3,4)5/h6-12H2,1-5H3/b15-13+/t17-/m1/s1.
What are the key properties of (NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide?
(NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide has a molecular weight of 259.46 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 16753574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).