N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide

C10H23N3O3S — CID 106148888

IUPACN-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide
SMILESCC(C)(CCO)CNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H23N3O3S/c1-10(2,3-8-14)9-12-17(15,16)13-6-4-11-5-7-13/h11-12,14H,3-9H2,1-2H3
InChIKeySBUPQXCPACPGRX-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.87
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide

N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide (PubChem CID 106148888) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide
PubChem CID106148888
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide
SMILESCC(C)(CCO)CNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H23N3O3S/c1-10(2,3-8-14)9-12-17(15,16)13-6-4-11-5-7-13/h11-12,14H,3-9H2,1-2H3
InChIKeySBUPQXCPACPGRX-UHFFFAOYSA-N
XLogP-0.87
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide
CID 103896620
N-(4-chloro-2,2-dimethylbutyl)azepane-1-sulfonamide
CID 106146071
N-prop-2-ynylpiperazine-1-sulfonamide
CID 28775542
N-[2-(methylamino)ethyl]piperazine-1-sulfonamide
CID 117126296
N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide
CID 106147925
N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-1-sulfonamide
CID 66171400
N-(2,4,4-trimethylpentan-2-yl)piperazine-1-sulfonamide
CID 61253124
N-(2-methylsulfanylethyl)piperazine-1-sulfonamide
CID 63958312
2-hydroxy-3-(piperazin-1-ylsulfonylamino)propanamide
CID 106177020
N-methylpiperazine-1-sulfonamide;hydrochloride
CID 86812477
N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide
CID 103967074
N-[2-[ethyl(propyl)amino]ethyl]piperazine-1-sulfonamide
CID 114134192

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide (CID 106148888) is N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide is CC(C)(CCO)CNS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide?
The InChIKey is SBUPQXCPACPGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-10(2,3-8-14)9-12-17(15,16)13-6-4-11-5-7-13/h11-12,14H,3-9H2,1-2H3.
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide?
N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of -0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide is sourced from PubChem (CID 106148888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).