1-butylsulfonylpiperazine

C8H18N2O2S — CID 16769079

IUPAC1-butylsulfonylpiperazine
SMILESCCCCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C8H18N2O2S/c1-2-3-8-13(11,12)10-6-4-9-5-7-10/h9H,2-8H2,1H3
InChIKeyGHWABFFIFVLMOJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.02
Rot. Bonds4

About 1-butylsulfonylpiperazine

1-butylsulfonylpiperazine (PubChem CID 16769079) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-butylsulfonylpiperazine.

Molecular Properties

Compound Name1-butylsulfonylpiperazine
PubChem CID16769079
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-butylsulfonylpiperazine
SMILESCCCCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C8H18N2O2S/c1-2-3-8-13(11,12)10-6-4-9-5-7-10/h9H,2-8H2,1H3
InChIKeyGHWABFFIFVLMOJ-UHFFFAOYSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypropylsulfonyl)piperazine;hydrochloride
CID 71756651
1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine
CID 91910159
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
2-piperazin-1-ylsulfonylethanamine
CID 16762501
1-tert-butyl-4-butylsulfonylpiperazine
CID 113074851
4-butylsulfonylpiperazine-1-carbaldehyde
CID 110755404
1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
CID 119446203
1-methyl-4-octadecylsulfonylpiperazine
CID 68601760
3-piperazin-1-ylsulfonylpropanoic acid
CID 61405457
1-(4-butylsulfonylpiperazin-1-yl)propan-1-one
CID 110817146
8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 17377912
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonylpiperazine?
The IUPAC name of 1-butylsulfonylpiperazine (CID 16769079) is 1-butylsulfonylpiperazine.
What is the SMILES notation for 1-butylsulfonylpiperazine?
The canonical SMILES for 1-butylsulfonylpiperazine is CCCCS(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-butylsulfonylpiperazine?
The InChIKey is GHWABFFIFVLMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-2-3-8-13(11,12)10-6-4-9-5-7-10/h9H,2-8H2,1H3.
What are the key properties of 1-butylsulfonylpiperazine?
1-butylsulfonylpiperazine has a molecular weight of 206.31 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonylpiperazine is sourced from PubChem (CID 16769079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).