N-tert-butylethenesulfinamide

C6H13NOS — CID 143369296

IUPACN-tert-butylethenesulfinamide
SMILESC=CS(=O)NC(C)(C)C
InChIInChI=1S/C6H13NOS/c1-5-9(8)7-6(2,3)4/h5,7H,1H2,2-4H3
InChIKeyPRHATRAGRAEVNM-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.18
Rot. Bonds2

About N-tert-butylethenesulfinamide

N-tert-butylethenesulfinamide (PubChem CID 143369296) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N-tert-butylethenesulfinamide.

Molecular Properties

Compound NameN-tert-butylethenesulfinamide
PubChem CID143369296
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN-tert-butylethenesulfinamide
SMILESC=CS(=O)NC(C)(C)C
InChIInChI=1S/C6H13NOS/c1-5-9(8)7-6(2,3)4/h5,7H,1H2,2-4H3
InChIKeyPRHATRAGRAEVNM-UHFFFAOYSA-N
XLogP1.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butylethenesulfinamide 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-tert-butylethenesulfinamide?
The IUPAC name of N-tert-butylethenesulfinamide (CID 143369296) is N-tert-butylethenesulfinamide.
What is the SMILES notation for N-tert-butylethenesulfinamide?
The canonical SMILES for N-tert-butylethenesulfinamide is C=CS(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylethenesulfinamide?
The InChIKey is PRHATRAGRAEVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5-9(8)7-6(2,3)4/h5,7H,1H2,2-4H3.
What are the key properties of N-tert-butylethenesulfinamide?
N-tert-butylethenesulfinamide has a molecular weight of 147.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylethenesulfinamide is sourced from PubChem (CID 143369296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).