N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide

C12H23NOS — CID 121015647

IUPACN-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide
SMILESC=CC1(NS(=O)C(C)(C)C)CCCCC1
InChIInChI=1S/C12H23NOS/c1-5-12(9-7-6-8-10-12)13-15(14)11(2,3)4/h5,13H,1,6-10H2,2-4H3
InChIKeyLIMJVRJIUPWZIP-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.93
Rot. Bonds3

About N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide

N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide (PubChem CID 121015647) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide
PubChem CID121015647
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide
SMILESC=CC1(NS(=O)C(C)(C)C)CCCCC1
InChIInChI=1S/C12H23NOS/c1-5-12(9-7-6-8-10-12)13-15(14)11(2,3)4/h5,13H,1,6-10H2,2-4H3
InChIKeyLIMJVRJIUPWZIP-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
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-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide (CID 121015647) is N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide is C=CC1(NS(=O)C(C)(C)C)CCCCC1.
What is the InChIKey of N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide?
The InChIKey is LIMJVRJIUPWZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-5-12(9-7-6-8-10-12)13-15(14)11(2,3)4/h5,13H,1,6-10H2,2-4H3.
What are the key properties of N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide?
N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide has a molecular weight of 229.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 121015647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).