N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide

C12H20N2O3S2 — CID 11536802

IUPACN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C12H20N2O3S2/c1-3-12(15,4-2)7-9-8-18-11(13-9)14-19(16,17)10-5-6-10/h8,10,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyOZXMYXMVODIKBY-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.14
Rot. Bonds7

About N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide

N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide (PubChem CID 11536802) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide
PubChem CID11536802
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C12H20N2O3S2/c1-3-12(15,4-2)7-9-8-18-11(13-9)14-19(16,17)10-5-6-10/h8,10,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyOZXMYXMVODIKBY-UHFFFAOYSA-N
XLogP2.14
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide (CID 11536802) is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide is CCC(O)(CC)Cc1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide?
The InChIKey is OZXMYXMVODIKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-3-12(15,4-2)7-9-8-18-11(13-9)14-19(16,17)10-5-6-10/h8,10,15H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide?
N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide has a molecular weight of 304.44 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 11536802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).