4-butan-2-ylpiperazine-1-sulfonamide

C8H19N3O2S — CID 112692809

IUPAC4-butan-2-ylpiperazine-1-sulfonamide
SMILESCCC(C)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C8H19N3O2S/c1-3-8(2)10-4-6-11(7-5-10)14(9,12)13/h8H,3-7H2,1-2H3,(H2,9,12,13)
InChIKeyDNNZELPKUZKCMG-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.39
Rot. Bonds3

About 4-butan-2-ylpiperazine-1-sulfonamide

4-butan-2-ylpiperazine-1-sulfonamide (PubChem CID 112692809) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-butan-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-butan-2-ylpiperazine-1-sulfonamide
PubChem CID112692809
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name4-butan-2-ylpiperazine-1-sulfonamide
SMILESCCC(C)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C8H19N3O2S/c1-3-8(2)10-4-6-11(7-5-10)14(9,12)13/h8H,3-7H2,1-2H3,(H2,9,12,13)
InChIKeyDNNZELPKUZKCMG-UHFFFAOYSA-N
XLogP-0.39
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine
CID 130440722
1-butan-2-yl-4-(chloromethylsulfonyl)piperazine
CID 63664982
1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine
CID 130440602
1-butan-2-yl-4-cyclobutylsulfonylpiperazine
CID 130440353
4-(4-butan-2-ylpiperazin-1-yl)sulfonylbutan-1-amine
CID 62774468
N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide
CID 47147108
4-butan-2-ylpiperazine-1-carbonyl chloride
CID 79887170
4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide
CID 63573948
4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde
CID 89260021
2-(4-sulfamoylpiperazin-1-yl)propanethioamide
CID 114959183
1-butan-2-yl-4-methylsulfonylpiperidine
CID 121183044
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylpiperazine-1-sulfonamide?
The IUPAC name of 4-butan-2-ylpiperazine-1-sulfonamide (CID 112692809) is 4-butan-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-butan-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for 4-butan-2-ylpiperazine-1-sulfonamide is CCC(C)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-butan-2-ylpiperazine-1-sulfonamide?
The InChIKey is DNNZELPKUZKCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-3-8(2)10-4-6-11(7-5-10)14(9,12)13/h8H,3-7H2,1-2H3,(H2,9,12,13).
What are the key properties of 4-butan-2-ylpiperazine-1-sulfonamide?
4-butan-2-ylpiperazine-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 112692809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).