4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide

C10H20N2OS — CID 66273495

IUPAC4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide
SMILESCC1CCNCC1N1CCS(=O)CC1
InChIInChI=1S/C10H20N2OS/c1-9-2-3-11-8-10(9)12-4-6-14(13)7-5-12/h9-11H,2-8H2,1H3
InChIKeyDJTMDSKUUCYRFL-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.05
Rot. Bonds1

About 4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide

4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide (PubChem CID 66273495) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide
PubChem CID66273495
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide
SMILESCC1CCNCC1N1CCS(=O)CC1
InChIInChI=1S/C10H20N2OS/c1-9-2-3-11-8-10(9)12-4-6-14(13)7-5-12/h9-11H,2-8H2,1H3
InChIKeyDJTMDSKUUCYRFL-UHFFFAOYSA-N
XLogP0.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide (CID 66273495) is 4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide is CC1CCNCC1N1CCS(=O)CC1.
What is the InChIKey of 4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide?
The InChIKey is DJTMDSKUUCYRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-9-2-3-11-8-10(9)12-4-6-14(13)7-5-12/h9-11H,2-8H2,1H3.
What are the key properties of 4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide?
4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide has a molecular weight of 216.35 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66273495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).