(NZ,R)-2-methyl-N-(3-methylcyclohex-2-en-1-ylidene)propane-2-sulfinamide

C11H19NOS — CID 62705618

IUPAC(NZ,R)-2-methyl-N-(3-methylcyclohex-2-en-1-ylidene)propane-2-sulfinamide
SMILESCC1=C/C(=N\[S@](=O)C(C)(C)C)CCC1
InChIInChI=1S/C11H19NOS/c1-9-6-5-7-10(8-9)12-14(13)11(2,3)4/h8H,5-7H2,1-4H3/b12-10-/t14-/m1/s1
InChIKeyHUBPVGMALFTTBZ-GAJOTYCWSA-N
MW213.35 g/mol
LogP3.02
Rot. Bonds1

About (NZ,R)-2-methyl-N-(3-methylcyclohex-2-en-1-ylidene)propane-2-sulfinamide

(NZ,R)-2-methyl-N-(3-methylcyclohex-2-en-1-ylidene)propane-2-sulfinamide (PubChem CID 62705618) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is (NZ,R)-2-methyl-N-(3-methylcyclohex-2-en-1-ylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,R)-2-methyl-N-(3-methylcyclohex-2-en-1-ylidene)propane-2-sulfinamide
PubChem CID62705618
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name(NZ,R)-2-methyl-N-(3-methylcyclohex-2-en-1-ylidene)propane-2-sulfinamide
SMILESCC1=C/C(=N\[S@](=O)C(C)(C)C)CCC1
InChIInChI=1S/C11H19NOS/c1-9-6-5-7-10(8-9)12-14(13)11(2,3)4/h8H,5-7H2,1-4H3/b12-10-/t14-/m1/s1
InChIKeyHUBPVGMALFTTBZ-GAJOTYCWSA-N
XLogP3.02
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.02
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 (NZ,R)-2-methyl-N-(3-methylcyclohex-2-en-1-ylidene)propane-2-sulfinamide?
The IUPAC name of (NZ,R)-2-methyl-N-(3-methylcyclohex-2-en-1-ylidene)propane-2-sulfinamide (CID 62705618) is (NZ,R)-2-methyl-N-(3-methylcyclohex-2-en-1-ylidene)propane-2-sulfinamide.
What is the SMILES notation for (NZ,R)-2-methyl-N-(3-methylcyclohex-2-en-1-ylidene)propane-2-sulfinamide?
The canonical SMILES for (NZ,R)-2-methyl-N-(3-methylcyclohex-2-en-1-ylidene)propane-2-sulfinamide is CC1=C/C(=N\[S@](=O)C(C)(C)C)CCC1.
What is the InChIKey of (NZ,R)-2-methyl-N-(3-methylcyclohex-2-en-1-ylidene)propane-2-sulfinamide?
The InChIKey is HUBPVGMALFTTBZ-GAJOTYCWSA-N. The full InChI is InChI=1S/C11H19NOS/c1-9-6-5-7-10(8-9)12-14(13)11(2,3)4/h8H,5-7H2,1-4H3/b12-10-/t14-/m1/s1.
What are the key properties of (NZ,R)-2-methyl-N-(3-methylcyclohex-2-en-1-ylidene)propane-2-sulfinamide?
(NZ,R)-2-methyl-N-(3-methylcyclohex-2-en-1-ylidene)propane-2-sulfinamide has a molecular weight of 213.35 g/mol, XLogP of 3.02, 1 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-(3-methylcyclohex-2-en-1-ylidene)propane-2-sulfinamide is sourced from PubChem (CID 62705618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).