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

C7H12N2O2S2 — CID 146536348

IUPACN-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide
SMILESCC(C)c1nc(NS(C)(=O)=O)cs1
InChIInChI=1S/C7H12N2O2S2/c1-5(2)7-8-6(4-12-7)9-13(3,10)11/h4-5,9H,1-3H3
InChIKeyPNGNNNYEOWAXSP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.64
Rot. Bonds3

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

N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide (PubChem CID 146536348) has the molecular formula C7H12N2O2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide
PubChem CID146536348
Molecular FormulaC7H12N2O2S2
Molecular Weight220.32 g/mol
Exact Mass220.03
IUPAC NameN-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide
SMILESCC(C)c1nc(NS(C)(=O)=O)cs1
InChIInChI=1S/C7H12N2O2S2/c1-5(2)7-8-6(4-12-7)9-13(3,10)11/h4-5,9H,1-3H3
InChIKeyPNGNNNYEOWAXSP-UHFFFAOYSA-N
XLogP1.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide?
The IUPAC name of N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide (CID 146536348) is N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide.
What is the SMILES notation for N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide?
The canonical SMILES for N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide is CC(C)c1nc(NS(C)(=O)=O)cs1.
What is the InChIKey of N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide?
The InChIKey is PNGNNNYEOWAXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2/c1-5(2)7-8-6(4-12-7)9-13(3,10)11/h4-5,9H,1-3H3.
What are the key properties of N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide?
N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide has a molecular weight of 220.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide is sourced from PubChem (CID 146536348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).