4-(2-methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide

C13H26N2O2S — CID 59639408

IUPAC4-(2-methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide
SMILESCC(C)CC1(N2CCNCC2)CCS(=O)(=O)CC1
InChIInChI=1S/C13H26N2O2S/c1-12(2)11-13(15-7-5-14-6-8-15)3-9-18(16,17)10-4-13/h12,14H,3-11H2,1-2H3
InChIKeyNZEYLDSRCYLXHC-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.89
Rot. Bonds3

About 4-(2-methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide

4-(2-methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide (PubChem CID 59639408) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-(2-methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide
PubChem CID59639408
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name4-(2-methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide
SMILESCC(C)CC1(N2CCNCC2)CCS(=O)(=O)CC1
InChIInChI=1S/C13H26N2O2S/c1-12(2)11-13(15-7-5-14-6-8-15)3-9-18(16,17)10-4-13/h12,14H,3-11H2,1-2H3
InChIKeyNZEYLDSRCYLXHC-UHFFFAOYSA-N
XLogP0.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(Trifluoromethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 115101264
4-Fluoro-4-(piperazin-1-ylmethyl)thiane 1,1-dioxide
CID 126845762
4-[3-(2-Methylpropylsulfonyl)propyl]piperidine
CID 56997394
4-(3-Butylsulfonylpropyl)piperidine
CID 57078100
4-(4-Methylpiperazin-1-yl)-4-(2-methylpropyl)thiane 1,1-dioxide
CID 59639411
1-[4-(2-Methylpropyl)thian-4-yl]piperazine
CID 59639414
[4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine
CID 69325978
11-Methylsulfonyl-1,4,9-triazaspiro[5.5]undecane
CID 69635941
11-Pentylsulfonyl-1,4,9-triazaspiro[5.5]undecane
CID 69635979
2-[4-[(2S)-butan-2-yl]piperazin-1-yl]-N-[2-(3-methylpentylsulfonyl)ethyl]ethanamine
CID 71122874
2-[4-(2-methylbutan-2-yl)piperazin-1-yl]-N-[2-(3-methylbutylsulfonyl)ethyl]ethanamine
CID 71122892
4-(3-Ethylsulfonylpropyl)piperidine
CID 106779373

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide?
The IUPAC name of 4-(2-methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide (CID 59639408) is 4-(2-methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide.
What is the SMILES notation for 4-(2-methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide?
The canonical SMILES for 4-(2-methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide is CC(C)CC1(N2CCNCC2)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(2-methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide?
The InChIKey is NZEYLDSRCYLXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-12(2)11-13(15-7-5-14-6-8-15)3-9-18(16,17)10-4-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide?
4-(2-methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide has a molecular weight of 274.43 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-4-piperazin-1-ylthiane 1,1-dioxide is sourced from PubChem (CID 59639408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).