(NZ,R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide

C12H23NOS — CID 90309994

IUPAC(NZ,R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide
SMILESCC(C)=CCC/C(C)=N\[S@](=O)C(C)(C)C
InChIInChI=1S/C12H23NOS/c1-10(2)8-7-9-11(3)13-15(14)12(4,5)6/h8H,7,9H2,1-6H3/b13-11-/t15-/m1/s1
InChIKeyUNULCATWJISIQL-BMOGTNHUSA-N
MW229.39 g/mol
LogP3.66
Rot. Bonds4

About (NZ,R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide

(NZ,R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide (PubChem CID 90309994) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is (NZ,R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide
PubChem CID90309994
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name(NZ,R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide
SMILESCC(C)=CCC/C(C)=N\[S@](=O)C(C)(C)C
InChIInChI=1S/C12H23NOS/c1-10(2)8-7-9-11(3)13-15(14)12(4,5)6/h8H,7,9H2,1-6H3/b13-11-/t15-/m1/s1
InChIKeyUNULCATWJISIQL-BMOGTNHUSA-N
XLogP3.66
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 11311039
CID 11311039
CID 134939284
CID 134939284
CID 134963585
CID 134963585
CID 62705618
CID 62705618
CID 118540811
CID 118540811
CID 123322234
CID 123322234
CID 123418440
CID 123418440
CID 123719787
CID 123719787
CID 154467891
CID 154467891
CID 164006881
CID 164006881
CID 168919403
CID 168919403
CID 172395523
CID 172395523

Frequently Asked Questions

What is the IUPAC name of (NZ,R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide?
The IUPAC name of (NZ,R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide (CID 90309994) is (NZ,R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide.
What is the SMILES notation for (NZ,R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide?
The canonical SMILES for (NZ,R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide is CC(C)=CCC/C(C)=N\[S@](=O)C(C)(C)C.
What is the InChIKey of (NZ,R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide?
The InChIKey is UNULCATWJISIQL-BMOGTNHUSA-N. The full InChI is InChI=1S/C12H23NOS/c1-10(2)8-7-9-11(3)13-15(14)12(4,5)6/h8H,7,9H2,1-6H3/b13-11-/t15-/m1/s1.
What are the key properties of (NZ,R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide?
(NZ,R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide has a molecular weight of 229.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide is sourced from PubChem (CID 90309994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).