N-(4-methylidenecyclohexyl)propane-2-sulfinamide

C10H19NOS — CID 89215029

IUPACN-(4-methylidenecyclohexyl)propane-2-sulfinamide
SMILESC=C1CCC(NS(=O)C(C)C)CC1
InChIInChI=1S/C10H19NOS/c1-8(2)13(12)11-10-6-4-9(3)5-7-10/h8,10-11H,3-7H2,1-2H3
InChIKeyUBVKGKNRHIMKDN-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.15
Rot. Bonds3

About N-(4-methylidenecyclohexyl)propane-2-sulfinamide

N-(4-methylidenecyclohexyl)propane-2-sulfinamide (PubChem CID 89215029) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-(4-methylidenecyclohexyl)propane-2-sulfinamide.

Molecular Properties

Compound NameN-(4-methylidenecyclohexyl)propane-2-sulfinamide
PubChem CID89215029
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-(4-methylidenecyclohexyl)propane-2-sulfinamide
SMILESC=C1CCC(NS(=O)C(C)C)CC1
InChIInChI=1S/C10H19NOS/c1-8(2)13(12)11-10-6-4-9(3)5-7-10/h8,10-11H,3-7H2,1-2H3
InChIKeyUBVKGKNRHIMKDN-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.15
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-(4-methylidenecyclohexyl)propane-2-sulfinamide?
The IUPAC name of N-(4-methylidenecyclohexyl)propane-2-sulfinamide (CID 89215029) is N-(4-methylidenecyclohexyl)propane-2-sulfinamide.
What is the SMILES notation for N-(4-methylidenecyclohexyl)propane-2-sulfinamide?
The canonical SMILES for N-(4-methylidenecyclohexyl)propane-2-sulfinamide is C=C1CCC(NS(=O)C(C)C)CC1.
What is the InChIKey of N-(4-methylidenecyclohexyl)propane-2-sulfinamide?
The InChIKey is UBVKGKNRHIMKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8(2)13(12)11-10-6-4-9(3)5-7-10/h8,10-11H,3-7H2,1-2H3.
What are the key properties of N-(4-methylidenecyclohexyl)propane-2-sulfinamide?
N-(4-methylidenecyclohexyl)propane-2-sulfinamide has a molecular weight of 201.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylidenecyclohexyl)propane-2-sulfinamide is sourced from PubChem (CID 89215029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).