N-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide

C10H19NO2S — CID 174210816

IUPACN-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=CCOCC1CC1
InChIInChI=1S/C10H19NO2S/c1-10(2,3)14(12)11-6-7-13-8-9-4-5-9/h6,9H,4-5,7-8H2,1-3H3
InChIKeyYJNUCVDGXGGAQL-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.95
Rot. Bonds5

About N-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide

N-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 174210816) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID174210816
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=CCOCC1CC1
InChIInChI=1S/C10H19NO2S/c1-10(2,3)14(12)11-6-7-13-8-9-4-5-9/h6,9H,4-5,7-8H2,1-3H3
InChIKeyYJNUCVDGXGGAQL-UHFFFAOYSA-N
XLogP1.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide (CID 174210816) is N-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=CCOCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is YJNUCVDGXGGAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-10(2,3)14(12)11-6-7-13-8-9-4-5-9/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide?
N-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 217.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 174210816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).