(NE,R)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide

C10H17NOS — CID 134963585

IUPAC(NE,R)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C1/C=CCCC1
InChIInChI=1S/C10H17NOS/c1-10(2,3)13(12)11-9-7-5-4-6-8-9/h5,7H,4,6,8H2,1-3H3/b11-9-/t13-/m1/s1
InChIKeyZTBMTQXYLGOKNE-PRWOLLLXSA-N
MW199.32 g/mol
LogP2.63
Rot. Bonds1

About (NE,R)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide

(NE,R)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide (PubChem CID 134963585) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is (NE,R)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide
PubChem CID134963585
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name(NE,R)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C1/C=CCCC1
InChIInChI=1S/C10H17NOS/c1-10(2,3)13(12)11-9-7-5-4-6-8-9/h5,7H,4,6,8H2,1-3H3/b11-9-/t13-/m1/s1
InChIKeyZTBMTQXYLGOKNE-PRWOLLLXSA-N
XLogP2.63
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide (CID 134963585) is (NE,R)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C1/C=CCCC1.
What is the InChIKey of (NE,R)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide?
The InChIKey is ZTBMTQXYLGOKNE-PRWOLLLXSA-N. The full InChI is InChI=1S/C10H17NOS/c1-10(2,3)13(12)11-9-7-5-4-6-8-9/h5,7H,4,6,8H2,1-3H3/b11-9-/t13-/m1/s1.
What are the key properties of (NE,R)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide?
(NE,R)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide has a molecular weight of 199.32 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134963585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).