4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide

C12H24N2O3S — CID 63871035

IUPAC4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCCOC2CCNCC2)CC1
InChIInChI=1S/C12H24N2O3S/c15-18(16)10-7-14(8-11-18)6-1-9-17-12-2-4-13-5-3-12/h12-13H,1-11H2
InChIKeyUYIVOOOBUHBJMI-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.12
Rot. Bonds5

About 4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide

4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 63871035) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide
PubChem CID63871035
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCCOC2CCNCC2)CC1
InChIInChI=1S/C12H24N2O3S/c15-18(16)10-7-14(8-11-18)6-1-9-17-12-2-4-13-5-3-12/h12-13H,1-11H2
InChIKeyUYIVOOOBUHBJMI-UHFFFAOYSA-N
XLogP-0.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine
CID 65418148
2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane
CID 79677564
1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine
CID 146420488
3-methyl-1-(3-piperidin-4-yloxypropyl)piperidine
CID 63904524
2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane
CID 79678748
7,7-dimethyl-4-(3-piperidin-4-yloxypropyl)-1,4-thiazepane
CID 107456139
3-methoxy-1-(3-piperidin-4-yloxypropyl)piperidine
CID 102963853
4,4-dimethyl-1-(2-piperidin-4-yloxyethyl)piperidine
CID 63903619
N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine
CID 81464896
3-methyl-4-(3-piperidin-4-yloxypropyl)morpholine
CID 63905297
1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine
CID 55251864
4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine
CID 63903227

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide (CID 63871035) is 4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(CCCOC2CCNCC2)CC1.
What is the InChIKey of 4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is UYIVOOOBUHBJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c15-18(16)10-7-14(8-11-18)6-1-9-17-12-2-4-13-5-3-12/h12-13H,1-11H2.
What are the key properties of 4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide?
4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 276.40 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 63871035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).