N,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide

C12H23NOS — CID 102321903

IUPACN,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide
SMILESCC1=CCC[C@@H](N(C)S(=O)C(C)(C)C)C1
InChIInChI=1S/C12H23NOS/c1-10-7-6-8-11(9-10)13(5)15(14)12(2,3)4/h7,11H,6,8-9H2,1-5H3/t11-,15?/m1/s1
InChIKeyCBXJZUCOGDBECK-ZRKZCGFPSA-N
MW229.39 g/mol
LogP2.88
Rot. Bonds2

About N,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide

N,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide (PubChem CID 102321903) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide
PubChem CID102321903
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide
SMILESCC1=CCC[C@@H](N(C)S(=O)C(C)(C)C)C1
InChIInChI=1S/C12H23NOS/c1-10-7-6-8-11(9-10)13(5)15(14)12(2,3)4/h7,11H,6,8-9H2,1-5H3/t11-,15?/m1/s1
InChIKeyCBXJZUCOGDBECK-ZRKZCGFPSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide?
The IUPAC name of N,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide (CID 102321903) is N,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide.
What is the SMILES notation for N,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide?
The canonical SMILES for N,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide is CC1=CCC[C@@H](N(C)S(=O)C(C)(C)C)C1.
What is the InChIKey of N,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide?
The InChIKey is CBXJZUCOGDBECK-ZRKZCGFPSA-N. The full InChI is InChI=1S/C12H23NOS/c1-10-7-6-8-11(9-10)13(5)15(14)12(2,3)4/h7,11H,6,8-9H2,1-5H3/t11-,15?/m1/s1.
What are the key properties of N,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide?
N,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide has a molecular weight of 229.39 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(1R)-3-methylcyclohex-3-en-1-yl]propane-2-sulfinamide is sourced from PubChem (CID 102321903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).