propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate

C12H25N3O5S — CID 114464217

IUPACpropan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C12H25N3O5S/c1-10(2)20-11(16)13-21(18,19)15-7-5-14(6-8-15)9-12(3,4)17/h10,17H,5-9H2,1-4H3,(H,13,16)
InChIKeyHYDMXTGYAZSKFC-UHFFFAOYSA-N
MW323.42 g/mol
LogP-0.25
Rot. Bonds5

About propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate

propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate (PubChem CID 114464217) has the molecular formula C12H25N3O5S and a molecular weight of 323.42 g/mol. Its IUPAC name is propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate
PubChem CID114464217
Molecular FormulaC12H25N3O5S
Molecular Weight323.42 g/mol
Exact Mass323.15
IUPAC Namepropan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C12H25N3O5S/c1-10(2)20-11(16)13-21(18,19)15-7-5-14(6-8-15)9-12(3,4)17/h10,17H,5-9H2,1-4H3,(H,13,16)
InChIKeyHYDMXTGYAZSKFC-UHFFFAOYSA-N
XLogP-0.25
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate?
The IUPAC name of propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate (CID 114464217) is propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate is CC(C)OC(=O)NS(=O)(=O)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate?
The InChIKey is HYDMXTGYAZSKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O5S/c1-10(2)20-11(16)13-21(18,19)15-7-5-14(6-8-15)9-12(3,4)17/h10,17H,5-9H2,1-4H3,(H,13,16).
What are the key properties of propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate?
propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate has a molecular weight of 323.42 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 114464217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).