1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine

C9H13ClN2O2S2 — CID 778335

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C9H13ClN2O2S2/c1-11-4-6-12(7-5-11)16(13,14)9-3-2-8(10)15-9/h2-3H,4-7H2,1H3
InChIKeyYSZIHDQWFJBDLV-UHFFFAOYSA-N
MW280.80 g/mol
LogP1.34
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine

1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine (PubChem CID 778335) has the molecular formula C9H13ClN2O2S2 and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine
PubChem CID778335
Molecular FormulaC9H13ClN2O2S2
Molecular Weight280.80 g/mol
Exact Mass280.01
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C9H13ClN2O2S2/c1-11-4-6-12(7-5-11)16(13,14)9-3-2-8(10)15-9/h2-3H,4-7H2,1H3
InChIKeyYSZIHDQWFJBDLV-UHFFFAOYSA-N
XLogP1.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine (CID 778335) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine is CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine?
The InChIKey is YSZIHDQWFJBDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S2/c1-11-4-6-12(7-5-11)16(13,14)9-3-2-8(10)15-9/h2-3H,4-7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine has a molecular weight of 280.80 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 778335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).