N-(2-methylpropyl)propane-2-sulfinamide

C7H17NOS — CID 130844442

IUPACN-(2-methylpropyl)propane-2-sulfinamide
SMILESCC(C)CNS(=O)C(C)C
InChIInChI=1S/C7H17NOS/c1-6(2)5-8-10(9)7(3)4/h6-8H,5H2,1-4H3
InChIKeyVJWBVVLEQSEGEO-UHFFFAOYSA-N
MW163.29 g/mol
LogP1.30
Rot. Bonds4

About N-(2-methylpropyl)propane-2-sulfinamide

N-(2-methylpropyl)propane-2-sulfinamide (PubChem CID 130844442) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is N-(2-methylpropyl)propane-2-sulfinamide.

Molecular Properties

Compound NameN-(2-methylpropyl)propane-2-sulfinamide
PubChem CID130844442
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC NameN-(2-methylpropyl)propane-2-sulfinamide
SMILESCC(C)CNS(=O)C(C)C
InChIInChI=1S/C7H17NOS/c1-6(2)5-8-10(9)7(3)4/h6-8H,5H2,1-4H3
InChIKeyVJWBVVLEQSEGEO-UHFFFAOYSA-N
XLogP1.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-methylpropyl)propane-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-methylpropyl)propane-2-sulfinamide?
The IUPAC name of N-(2-methylpropyl)propane-2-sulfinamide (CID 130844442) is N-(2-methylpropyl)propane-2-sulfinamide.
What is the SMILES notation for N-(2-methylpropyl)propane-2-sulfinamide?
The canonical SMILES for N-(2-methylpropyl)propane-2-sulfinamide is CC(C)CNS(=O)C(C)C.
What is the InChIKey of N-(2-methylpropyl)propane-2-sulfinamide?
The InChIKey is VJWBVVLEQSEGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-6(2)5-8-10(9)7(3)4/h6-8H,5H2,1-4H3.
What are the key properties of N-(2-methylpropyl)propane-2-sulfinamide?
N-(2-methylpropyl)propane-2-sulfinamide has a molecular weight of 163.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)propane-2-sulfinamide is sourced from PubChem (CID 130844442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).