4-[2-(1-methylpyrrolidin-2-yl)phenyl]-1,4-thiazinane 1,1-dioxide

C15H22N2O2S — CID 167249151

IUPAC4-[2-(1-methylpyrrolidin-2-yl)phenyl]-1,4-thiazinane 1,1-dioxide
SMILESCN1CCCC1c1ccccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H22N2O2S/c1-16-8-4-7-14(16)13-5-2-3-6-15(13)17-9-11-20(18,19)12-10-17/h2-3,5-6,14H,4,7-12H2,1H3
InChIKeyKWKHSYHHBBFCTO-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.69
Rot. Bonds2

About 4-[2-(1-methylpyrrolidin-2-yl)phenyl]-1,4-thiazinane 1,1-dioxide

4-[2-(1-methylpyrrolidin-2-yl)phenyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 167249151) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-[2-(1-methylpyrrolidin-2-yl)phenyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(1-methylpyrrolidin-2-yl)phenyl]-1,4-thiazinane 1,1-dioxide
PubChem CID167249151
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-[2-(1-methylpyrrolidin-2-yl)phenyl]-1,4-thiazinane 1,1-dioxide
SMILESCN1CCCC1c1ccccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H22N2O2S/c1-16-8-4-7-14(16)13-5-2-3-6-15(13)17-9-11-20(18,19)12-10-17/h2-3,5-6,14H,4,7-12H2,1H3
InChIKeyKWKHSYHHBBFCTO-UHFFFAOYSA-N
XLogP1.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrrolidin-2-yl)phenyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-(1-methylpyrrolidin-2-yl)phenyl]-1,4-thiazinane 1,1-dioxide (CID 167249151) is 4-[2-(1-methylpyrrolidin-2-yl)phenyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-(1-methylpyrrolidin-2-yl)phenyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-(1-methylpyrrolidin-2-yl)phenyl]-1,4-thiazinane 1,1-dioxide is CN1CCCC1c1ccccc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[2-(1-methylpyrrolidin-2-yl)phenyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is KWKHSYHHBBFCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-16-8-4-7-14(16)13-5-2-3-6-15(13)17-9-11-20(18,19)12-10-17/h2-3,5-6,14H,4,7-12H2,1H3.
What are the key properties of 4-[2-(1-methylpyrrolidin-2-yl)phenyl]-1,4-thiazinane 1,1-dioxide?
4-[2-(1-methylpyrrolidin-2-yl)phenyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 294.42 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrrolidin-2-yl)phenyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 167249151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).