N-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide

C12H20ClN3O2S2 — CID 61042299

IUPACN-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide
SMILESCC(C)(C)N1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C12H20ClN3O2S2/c1-12(2,3)16-6-4-9(5-7-16)15-20(17,18)10-8-14-11(13)19-10/h8-9,15H,4-7H2,1-3H3
InChIKeyCXRNTWFRTCXLLG-UHFFFAOYSA-N
MW337.90 g/mol
LogP2.34
Rot. Bonds3

About N-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide

N-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide (PubChem CID 61042299) has the molecular formula C12H20ClN3O2S2 and a molecular weight of 337.90 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide
PubChem CID61042299
Molecular FormulaC12H20ClN3O2S2
Molecular Weight337.90 g/mol
Exact Mass337.07
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide
SMILESCC(C)(C)N1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C12H20ClN3O2S2/c1-12(2,3)16-6-4-9(5-7-16)15-20(17,18)10-8-14-11(13)19-10/h8-9,15H,4-7H2,1-3H3
InChIKeyCXRNTWFRTCXLLG-UHFFFAOYSA-N
XLogP2.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide (CID 61042299) is N-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide is CC(C)(C)N1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide?
The InChIKey is CXRNTWFRTCXLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2S2/c1-12(2,3)16-6-4-9(5-7-16)15-20(17,18)10-8-14-11(13)19-10/h8-9,15H,4-7H2,1-3H3.
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide?
N-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide has a molecular weight of 337.90 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-2-chloro-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61042299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).