2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride

C9H13ClN2O2S2 — CID 177318955

IUPAC2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride
SMILESCN1CCCC(c2ncc(S(=O)(=O)Cl)s2)C1
InChIInChI=1S/C9H13ClN2O2S2/c1-12-4-2-3-7(6-12)9-11-5-8(15-9)16(10,13)14/h5,7H,2-4,6H2,1H3
InChIKeyVOQVAXBHWAMXEH-UHFFFAOYSA-N
MW280.80 g/mol
LogP1.88
Rot. Bonds2

About 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride

2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride (PubChem CID 177318955) has the molecular formula C9H13ClN2O2S2 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride
PubChem CID177318955
Molecular FormulaC9H13ClN2O2S2
Molecular Weight280.80 g/mol
Exact Mass280.01
IUPAC Name2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride
SMILESCN1CCCC(c2ncc(S(=O)(=O)Cl)s2)C1
InChIInChI=1S/C9H13ClN2O2S2/c1-12-4-2-3-7(6-12)9-11-5-8(15-9)16(10,13)14/h5,7H,2-4,6H2,1H3
InChIKeyVOQVAXBHWAMXEH-UHFFFAOYSA-N
XLogP1.88
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride (CID 177318955) is 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride is CN1CCCC(c2ncc(S(=O)(=O)Cl)s2)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is VOQVAXBHWAMXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S2/c1-12-4-2-3-7(6-12)9-11-5-8(15-9)16(10,13)14/h5,7H,2-4,6H2,1H3.
What are the key properties of 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride?
2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 280.80 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 177318955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).