N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide

C11H18N2O3S2 — CID 103414856

IUPACN-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2CCCC2CO)s1
InChIInChI=1S/C11H18N2O3S2/c1-8-12-6-11(17-8)18(15,16)13-5-9-3-2-4-10(9)7-14/h6,9-10,13-14H,2-5,7H2,1H3
InChIKeyFWJSOPXYCHDRBU-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.14
Rot. Bonds5

About N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide

N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103414856) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103414856
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC NameN-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2CCCC2CO)s1
InChIInChI=1S/C11H18N2O3S2/c1-8-12-6-11(17-8)18(15,16)13-5-9-3-2-4-10(9)7-14/h6,9-10,13-14H,2-5,7H2,1H3
InChIKeyFWJSOPXYCHDRBU-UHFFFAOYSA-N
XLogP1.14
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 103414856) is N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC2CCCC2CO)s1.
What is the InChIKey of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is FWJSOPXYCHDRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-8-12-6-11(17-8)18(15,16)13-5-9-3-2-4-10(9)7-14/h6,9-10,13-14H,2-5,7H2,1H3.
What are the key properties of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103414856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).