(NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide

C12H23NOS — CID 11413565

IUPAC(NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)/N=C/CC1CCCCC1
InChIInChI=1S/C12H23NOS/c1-12(2,3)15(14)13-10-9-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3/b13-10+/t15-/m0/s1
InChIKeyKPTBVWBTMMZRHO-VOMSXAGXSA-N
MW229.39 g/mol
LogP3.49
Rot. Bonds3

About (NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide

(NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide (PubChem CID 11413565) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is (NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide
PubChem CID11413565
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name(NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)/N=C/CC1CCCCC1
InChIInChI=1S/C12H23NOS/c1-12(2,3)15(14)13-10-9-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3/b13-10+/t15-/m0/s1
InChIKeyKPTBVWBTMMZRHO-VOMSXAGXSA-N
XLogP3.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NZ,R)-2-methyl-N-propylidenepropane-2-sulfinamide
CID 129286833
(NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide
CID 135084343
N-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide
CID 174210816
(NE,R)-N-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide
CID 118440743
N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide
CID 66701339
(NE,R)-N-[3-(1,3-dioxan-2-yl)propylidene]-2-methylpropane-2-sulfinamide
CID 121006550
(R)-2-methyl-N-(3-methylbutylidene)propane-2-sulfinamide
CID 91197470
trans-ethyl (1R,2R)-2-[2-[(R)-tert-butylsulfinyl]iminoethyl]cyclopropane-1-carboxylate
CID 123795075
(NE,R)-N-(4-chlorobutylidene)-2-methylpropane-2-sulfinamide
CID 57333504
[(E)-4,4-dimethylpent-2-enyl]cyclohexane
CID 158566714
2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methylidene]propane-2-sulfinamide
CID 171775288
(NE,S)-N-decylidene-2-methylpropane-2-sulfinamide
CID 57331784

Frequently Asked Questions

What is the IUPAC name of (NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide (CID 11413565) is (NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)/N=C/CC1CCCCC1.
What is the InChIKey of (NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is KPTBVWBTMMZRHO-VOMSXAGXSA-N. The full InChI is InChI=1S/C12H23NOS/c1-12(2,3)15(14)13-10-9-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3/b13-10+/t15-/m0/s1.
What are the key properties of (NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide?
(NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 229.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 11413565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).