4-(2-hydroxy-2-methylpropyl)-N,N-dimethylpiperazine-1-sulfonamide

C10H23N3O3S — CID 63239285

IUPAC4-(2-hydroxy-2-methylpropyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C10H23N3O3S/c1-10(2,14)9-12-5-7-13(8-6-12)17(15,16)11(3)4/h14H,5-9H2,1-4H3
InChIKeyMQDDTJGUQBBPBS-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.82
Rot. Bonds4

About 4-(2-hydroxy-2-methylpropyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(2-hydroxy-2-methylpropyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 63239285) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylpropyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-hydroxy-2-methylpropyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID63239285
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name4-(2-hydroxy-2-methylpropyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C10H23N3O3S/c1-10(2,14)9-12-5-7-13(8-6-12)17(15,16)11(3)4/h14H,5-9H2,1-4H3
InChIKeyMQDDTJGUQBBPBS-UHFFFAOYSA-N
XLogP-0.82
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-methylpropyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2-hydroxy-2-methylpropyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 63239285) is 4-(2-hydroxy-2-methylpropyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-hydroxy-2-methylpropyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2-hydroxy-2-methylpropyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of 4-(2-hydroxy-2-methylpropyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is MQDDTJGUQBBPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-10(2,14)9-12-5-7-13(8-6-12)17(15,16)11(3)4/h14H,5-9H2,1-4H3.
What are the key properties of 4-(2-hydroxy-2-methylpropyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(2-hydroxy-2-methylpropyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of -0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-methylpropyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 63239285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).