N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide

C9H16N2O2S2 — CID 110441243

IUPACN-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
SMILESCC(C)c1csc(CCNS(C)(=O)=O)n1
InChIInChI=1S/C9H16N2O2S2/c1-7(2)8-6-14-9(11-8)4-5-10-15(3,12)13/h6-7,10H,4-5H2,1-3H3
InChIKeyRBMXJPAEBYUBTC-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.36
Rot. Bonds5

About N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide

N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide (PubChem CID 110441243) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
PubChem CID110441243
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC NameN-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
SMILESCC(C)c1csc(CCNS(C)(=O)=O)n1
InChIInChI=1S/C9H16N2O2S2/c1-7(2)8-6-14-9(11-8)4-5-10-15(3,12)13/h6-7,10H,4-5H2,1-3H3
InChIKeyRBMXJPAEBYUBTC-UHFFFAOYSA-N
XLogP1.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide 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-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide (CID 110441243) is N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide is CC(C)c1csc(CCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The InChIKey is RBMXJPAEBYUBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-7(2)8-6-14-9(11-8)4-5-10-15(3,12)13/h6-7,10H,4-5H2,1-3H3.
What are the key properties of N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide?
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide has a molecular weight of 248.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110441243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).