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

C14H24N2O3S2 — CID 11674366

IUPACN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)C2CCCC2)n1
InChIInChI=1S/C14H24N2O3S2/c1-3-14(17,4-2)9-11-10-20-13(15-11)16-21(18,19)12-7-5-6-8-12/h10,12,17H,3-9H2,1-2H3,(H,15,16)
InChIKeyLSRLHNQZGVZSLL-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.92
Rot. Bonds7

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

N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide (PubChem CID 11674366) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
PubChem CID11674366
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)C2CCCC2)n1
InChIInChI=1S/C14H24N2O3S2/c1-3-14(17,4-2)9-11-10-20-13(15-11)16-21(18,19)12-7-5-6-8-12/h10,12,17H,3-9H2,1-2H3,(H,15,16)
InChIKeyLSRLHNQZGVZSLL-UHFFFAOYSA-N
XLogP2.92
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.92
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]cyclopentanesulfonamide?
The IUPAC name of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide (CID 11674366) is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide.
What is the SMILES notation for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide?
The canonical SMILES for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide is CCC(O)(CC)Cc1csc(NS(=O)(=O)C2CCCC2)n1.
What is the InChIKey of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide?
The InChIKey is LSRLHNQZGVZSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-3-14(17,4-2)9-11-10-20-13(15-11)16-21(18,19)12-7-5-6-8-12/h10,12,17H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide?
N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.92, 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]cyclopentanesulfonamide is sourced from PubChem (CID 11674366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).