4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide

C9H13NO2S2 — CID 2777268

IUPAC4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2cccs2)CC1
InChIInChI=1S/C9H13NO2S2/c11-14(12)6-3-10(4-7-14)8-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2
InChIKeyZPGDTPOQUVGNBP-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.98
Rot. Bonds2

About 4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide

4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 2777268) has the molecular formula C9H13NO2S2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID2777268
Molecular FormulaC9H13NO2S2
Molecular Weight231.34 g/mol
Exact Mass231.04
IUPAC Name4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2cccs2)CC1
InChIInChI=1S/C9H13NO2S2/c11-14(12)6-3-10(4-7-14)8-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2
InChIKeyZPGDTPOQUVGNBP-UHFFFAOYSA-N
XLogP0.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide (CID 2777268) is 4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2cccs2)CC1.
What is the InChIKey of 4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is ZPGDTPOQUVGNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S2/c11-14(12)6-3-10(4-7-14)8-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2.
What are the key properties of 4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide?
4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 231.34 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 2777268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).