4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide

C15H31N3O2S — CID 166986124

IUPAC4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC(CCC(C)(C)N1CCS(=O)(=O)CC1)N1CCNCC1
InChIInChI=1S/C15H31N3O2S/c1-14(17-8-6-16-7-9-17)4-5-15(2,3)18-10-12-21(19,20)13-11-18/h14,16H,4-13H2,1-3H3
InChIKeyRFUWBBAQXNJFQE-UHFFFAOYSA-N
MW317.50 g/mol
LogP0.57
Rot. Bonds5

About 4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide

4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 166986124) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is 4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID166986124
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC Name4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC(CCC(C)(C)N1CCS(=O)(=O)CC1)N1CCNCC1
InChIInChI=1S/C15H31N3O2S/c1-14(17-8-6-16-7-9-17)4-5-15(2,3)18-10-12-21(19,20)13-11-18/h14,16H,4-13H2,1-3H3
InChIKeyRFUWBBAQXNJFQE-UHFFFAOYSA-N
XLogP0.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-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

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide (CID 166986124) is 4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide is CC(CCC(C)(C)N1CCS(=O)(=O)CC1)N1CCNCC1.
What is the InChIKey of 4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is RFUWBBAQXNJFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-14(17-8-6-16-7-9-17)4-5-15(2,3)18-10-12-21(19,20)13-11-18/h14,16H,4-13H2,1-3H3.
What are the key properties of 4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide?
4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 317.50 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-piperazin-1-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 166986124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).