4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride

C9H13Cl2NS2 — CID 110185823

IUPAC4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride
SMILESClc1ccc(SC2CC[NH2+]CC2)s1.[Cl-]
InChIInChI=1S/C9H12ClNS2.ClH/c10-8-1-2-9(13-8)12-7-3-5-11-6-4-7;/h1-2,7,11H,3-6H2;1H
InChIKeySAKASSCHTKASAL-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.78
Rot. Bonds2

About 4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride

4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride (PubChem CID 110185823) has the molecular formula C9H13Cl2NS2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride
PubChem CID110185823
Molecular FormulaC9H13Cl2NS2
Molecular Weight270.25 g/mol
Exact Mass268.99
IUPAC Name4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride
SMILESClc1ccc(SC2CC[NH2+]CC2)s1.[Cl-]
InChIInChI=1S/C9H12ClNS2.ClH/c10-8-1-2-9(13-8)12-7-3-5-11-6-4-7;/h1-2,7,11H,3-6H2;1H
InChIKeySAKASSCHTKASAL-UHFFFAOYSA-N
XLogP-0.78
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride?
The IUPAC name of 4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride (CID 110185823) is 4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride is Clc1ccc(SC2CC[NH2+]CC2)s1.[Cl-].
What is the InChIKey of 4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride?
The InChIKey is SAKASSCHTKASAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS2.ClH/c10-8-1-2-9(13-8)12-7-3-5-11-6-4-7;/h1-2,7,11H,3-6H2;1H.
What are the key properties of 4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride?
4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride has a molecular weight of 270.25 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride is sourced from PubChem (CID 110185823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).