(NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide

C13H27NOS — CID 11265085

IUPAC(NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide
SMILESCCCCCCCC/C=N/[S@@](=O)C(C)(C)C
InChIInChI=1S/C13H27NOS/c1-5-6-7-8-9-10-11-12-14-16(15)13(2,3)4/h12H,5-11H2,1-4H3/b14-12+/t16-/m0/s1
InChIKeyDQUXDGMZFNDHPV-GRNBYLDVSA-N
MW245.43 g/mol
LogP4.27
Rot. Bonds8

About (NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide

(NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide (PubChem CID 11265085) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is (NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide
PubChem CID11265085
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name(NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide
SMILESCCCCCCCC/C=N/[S@@](=O)C(C)(C)C
InChIInChI=1S/C13H27NOS/c1-5-6-7-8-9-10-11-12-14-16(15)13(2,3)4/h12H,5-11H2,1-4H3/b14-12+/t16-/m0/s1
InChIKeyDQUXDGMZFNDHPV-GRNBYLDVSA-N
XLogP4.27
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 54.27
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

(NE,S)-N-decylidene-2-methylpropane-2-sulfinamide
CID 57331784
(S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide
CID 124645955
(NE,R)-N-(4-chlorobutylidene)-2-methylpropane-2-sulfinamide
CID 57333504
(NZ,R)-2-methyl-N-propylidenepropane-2-sulfinamide
CID 129286833
(NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide
CID 135084343
N-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide
CID 67268344
(NE,R)-2-methyl-N-[6-(4-methylphenyl)-6-oxohexylidene]propane-2-sulfinamide
CID 135072030
(NE)-2-methyl-N-(6-oxo-6-phenylhexylidene)propane-2-sulfinamide
CID 177384811
(NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide
CID 50939528
(NE,R)-N-[6-(4-bromophenyl)-6-oxohexylidene]-2-methylpropane-2-sulfinamide
CID 135072596
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
(NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide
CID 134998927

Frequently Asked Questions

What is the IUPAC name of (NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide?
The IUPAC name of (NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide (CID 11265085) is (NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide.
What is the SMILES notation for (NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide?
The canonical SMILES for (NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide is CCCCCCCC/C=N/[S@@](=O)C(C)(C)C.
What is the InChIKey of (NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide?
The InChIKey is DQUXDGMZFNDHPV-GRNBYLDVSA-N. The full InChI is InChI=1S/C13H27NOS/c1-5-6-7-8-9-10-11-12-14-16(15)13(2,3)4/h12H,5-11H2,1-4H3/b14-12+/t16-/m0/s1.
What are the key properties of (NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide?
(NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide has a molecular weight of 245.43 g/mol, XLogP of 4.27, 8 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-nonylidenepropane-2-sulfinamide is sourced from PubChem (CID 11265085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).