4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide

C14H28N2O2S — CID 59639411

IUPAC4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide
SMILESCC(C)CC1(N2CCN(C)CC2)CCS(=O)(=O)CC1
InChIInChI=1S/C14H28N2O2S/c1-13(2)12-14(4-10-19(17,18)11-5-14)16-8-6-15(3)7-9-16/h13H,4-12H2,1-3H3
InChIKeyDTVIXABQTNGGSE-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.23
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide

4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide (PubChem CID 59639411) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide
PubChem CID59639411
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide
SMILESCC(C)CC1(N2CCN(C)CC2)CCS(=O)(=O)CC1
InChIInChI=1S/C14H28N2O2S/c1-13(2)12-14(4-10-19(17,18)11-5-14)16-8-6-15(3)7-9-16/h13H,4-12H2,1-3H3
InChIKeyDTVIXABQTNGGSE-UHFFFAOYSA-N
XLogP1.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide (CID 59639411) is 4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide is CC(C)CC1(N2CCN(C)CC2)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide?
The InChIKey is DTVIXABQTNGGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-13(2)12-14(4-10-19(17,18)11-5-14)16-8-6-15(3)7-9-16/h13H,4-12H2,1-3H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide?
4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide has a molecular weight of 288.46 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide is sourced from PubChem (CID 59639411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).