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

C15H26N2O3S2 — CID 11717198

IUPACN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclohexanesulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)C2CCCCC2)n1
InChIInChI=1S/C15H26N2O3S2/c1-3-15(18,4-2)10-12-11-21-14(16-12)17-22(19,20)13-8-6-5-7-9-13/h11,13,18H,3-10H2,1-2H3,(H,16,17)
InChIKeyWYAZXHLRXHYZBC-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.31
Rot. Bonds7

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

N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclohexanesulfonamide (PubChem CID 11717198) has the molecular formula C15H26N2O3S2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclohexanesulfonamide
PubChem CID11717198
Molecular FormulaC15H26N2O3S2
Molecular Weight346.52 g/mol
Exact Mass346.14
IUPAC NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclohexanesulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)C2CCCCC2)n1
InChIInChI=1S/C15H26N2O3S2/c1-3-15(18,4-2)10-12-11-21-14(16-12)17-22(19,20)13-8-6-5-7-9-13/h11,13,18H,3-10H2,1-2H3,(H,16,17)
InChIKeyWYAZXHLRXHYZBC-UHFFFAOYSA-N
XLogP3.31
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.31
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]cyclohexanesulfonamide?
The IUPAC name of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclohexanesulfonamide (CID 11717198) is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclohexanesulfonamide.
What is the SMILES notation for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclohexanesulfonamide?
The canonical SMILES for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclohexanesulfonamide is CCC(O)(CC)Cc1csc(NS(=O)(=O)C2CCCCC2)n1.
What is the InChIKey of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclohexanesulfonamide?
The InChIKey is WYAZXHLRXHYZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S2/c1-3-15(18,4-2)10-12-11-21-14(16-12)17-22(19,20)13-8-6-5-7-9-13/h11,13,18H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclohexanesulfonamide?
N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclohexanesulfonamide has a molecular weight of 346.52 g/mol, XLogP of 3.31, 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]cyclohexanesulfonamide is sourced from PubChem (CID 11717198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).