N-(2-hydroxy-2,4-dimethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide

C11H20N2O3S2 — CID 103414870

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(C)(O)CC(C)C)s1
InChIInChI=1S/C11H20N2O3S2/c1-8(2)5-11(4,14)7-13-18(15,16)10-6-12-9(3)17-10/h6,8,13-14H,5,7H2,1-4H3
InChIKeyXDRWXYUATARLKT-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.53
Rot. Bonds6

About N-(2-hydroxy-2,4-dimethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(2-hydroxy-2,4-dimethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103414870) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103414870
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(C)(O)CC(C)C)s1
InChIInChI=1S/C11H20N2O3S2/c1-8(2)5-11(4,14)7-13-18(15,16)10-6-12-9(3)17-10/h6,8,13-14H,5,7H2,1-4H3
InChIKeyXDRWXYUATARLKT-UHFFFAOYSA-N
XLogP1.53
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 103414870) is N-(2-hydroxy-2,4-dimethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC(C)(O)CC(C)C)s1.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is XDRWXYUATARLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-8(2)5-11(4,14)7-13-18(15,16)10-6-12-9(3)17-10/h6,8,13-14H,5,7H2,1-4H3.
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(2-hydroxy-2,4-dimethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103414870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).