1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol

C14H28N2O4S — CID 53369786

IUPAC1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H28N2O4S/c1-12(2)20-10-14(17)9-15-4-6-16(7-5-15)13-3-8-21(18,19)11-13/h12-14,17H,3-11H2,1-2H3
InChIKeyVCZIOBSKFHGSKS-UHFFFAOYSA-N
MW320.45 g/mol
LogP-0.42
Rot. Bonds6

About 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol

1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 53369786) has the molecular formula C14H28N2O4S and a molecular weight of 320.45 g/mol. Its IUPAC name is 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID53369786
Molecular FormulaC14H28N2O4S
Molecular Weight320.45 g/mol
Exact Mass320.18
IUPAC Name1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H28N2O4S/c1-12(2)20-10-14(17)9-15-4-6-16(7-5-15)13-3-8-21(18,19)11-13/h12-14,17H,3-11H2,1-2H3
InChIKeyVCZIOBSKFHGSKS-UHFFFAOYSA-N
XLogP-0.42
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol with MolForge

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Related Compounds

3-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 54914507
1-(4-piperidin-1-ylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 60966443
1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol
CID 53369436
1-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110012066
2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid
CID 63989269
1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol
CID 115826056
1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987782
(3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 97085497
(2S)-1-(4-cyclopropyl-1,4-diazepan-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 97210895
1-(8-azaspiro[4.5]decan-8-yl)-3-propan-2-yloxypropan-2-ol
CID 63987208
N-[[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]methyl]propan-2-amine
CID 63848761
2-[4-(1,1-dioxothiolan-3-yl)-1,4-diazepan-1-yl]ethanol
CID 63312824

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol (CID 53369786) is 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN1CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is VCZIOBSKFHGSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-12(2)20-10-14(17)9-15-4-6-16(7-5-15)13-3-8-21(18,19)11-13/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol?
1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 320.45 g/mol, XLogP of -0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 53369786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).