2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide

C12H20ClN3O2S2 — CID 43455876

IUPAC2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide
SMILESCC1CCCCN1CCCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C12H20ClN3O2S2/c1-10-5-2-3-7-16(10)8-4-6-15-20(17,18)11-9-14-12(13)19-11/h9-10,15H,2-8H2,1H3
InChIKeyDYIQANZKAWXWSM-UHFFFAOYSA-N
MW337.90 g/mol
LogP2.34
Rot. Bonds6

About 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide (PubChem CID 43455876) has the molecular formula C12H20ClN3O2S2 and a molecular weight of 337.90 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide
PubChem CID43455876
Molecular FormulaC12H20ClN3O2S2
Molecular Weight337.90 g/mol
Exact Mass337.07
IUPAC Name2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide
SMILESCC1CCCCN1CCCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C12H20ClN3O2S2/c1-10-5-2-3-7-16(10)8-4-6-15-20(17,18)11-9-14-12(13)19-11/h9-10,15H,2-8H2,1H3
InChIKeyDYIQANZKAWXWSM-UHFFFAOYSA-N
XLogP2.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide (CID 43455876) is 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide is CC1CCCCN1CCCNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is DYIQANZKAWXWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2S2/c1-10-5-2-3-7-16(10)8-4-6-15-20(17,18)11-9-14-12(13)19-11/h9-10,15H,2-8H2,1H3.
What are the key properties of 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 337.90 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).