3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

C14H28N2O2S — CID 64947362

IUPAC3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESCC(C)C1CNC(C)(C)CN1CC1CCS(=O)(=O)C1
InChIInChI=1S/C14H28N2O2S/c1-11(2)13-7-15-14(3,4)10-16(13)8-12-5-6-19(17,18)9-12/h11-13,15H,5-10H2,1-4H3
InChIKeyQSTAEAZHNDZPSW-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.13
Rot. Bonds3

About 3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (PubChem CID 64947362) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
PubChem CID64947362
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESCC(C)C1CNC(C)(C)CN1CC1CCS(=O)(=O)C1
InChIInChI=1S/C14H28N2O2S/c1-11(2)13-7-15-14(3,4)10-16(13)8-12-5-6-19(17,18)9-12/h11-13,15H,5-10H2,1-4H3
InChIKeyQSTAEAZHNDZPSW-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840273
2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 81039834
3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64947359
1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 65097482
5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
CID 64941846
1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 82924761
5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64941038
5-cyclopropyl-5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64934750
1-(cyclohexylmethyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64848291
5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine
CID 113490892
9-[(1-methylpiperidin-3-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947685
1-(cyclopropylmethyl)-2,5,5-trimethylpiperazine
CID 64840059

Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (CID 64947362) is 3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is CC(C)C1CNC(C)(C)CN1CC1CCS(=O)(=O)C1.
What is the InChIKey of 3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is QSTAEAZHNDZPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-11(2)13-7-15-14(3,4)10-16(13)8-12-5-6-19(17,18)9-12/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 288.46 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 64947362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).