1-butylsulfonyl-4-cyclohexylpiperazine

C14H28N2O2S — CID 2225128

IUPAC1-butylsulfonyl-4-cyclohexylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-2-3-13-19(17,18)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h14H,2-13H2,1H3
InChIKeySYLXJRCAMJLVHZ-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.07
Rot. Bonds5

About 1-butylsulfonyl-4-cyclohexylpiperazine

1-butylsulfonyl-4-cyclohexylpiperazine (PubChem CID 2225128) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-butylsulfonyl-4-cyclohexylpiperazine.

Molecular Properties

Compound Name1-butylsulfonyl-4-cyclohexylpiperazine
PubChem CID2225128
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-butylsulfonyl-4-cyclohexylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-2-3-13-19(17,18)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h14H,2-13H2,1H3
InChIKeySYLXJRCAMJLVHZ-UHFFFAOYSA-N
XLogP2.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359855
2-Cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359912
Cambridge id 6502799
CID 1529500
2-Butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359858
2-Cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359907
2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
CID 51359909
2-Cyclohexyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359916
N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide
CID 56806855
1-Cyclooctyl-4-(ethylsulfonyl)piperazine
CID 883366
1-Cyclohexyl-4-(methylsulfonyl)piperazine
CID 787179
1-Cyclopentyl-4-(ethylsulfonyl)piperazine
CID 740709
1-Ethylsulfonyl-4-pentan-3-ylpiperazine
CID 777525

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-cyclohexylpiperazine?
The IUPAC name of 1-butylsulfonyl-4-cyclohexylpiperazine (CID 2225128) is 1-butylsulfonyl-4-cyclohexylpiperazine.
What is the SMILES notation for 1-butylsulfonyl-4-cyclohexylpiperazine?
The canonical SMILES for 1-butylsulfonyl-4-cyclohexylpiperazine is CCCCS(=O)(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-butylsulfonyl-4-cyclohexylpiperazine?
The InChIKey is SYLXJRCAMJLVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-2-3-13-19(17,18)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h14H,2-13H2,1H3.
What are the key properties of 1-butylsulfonyl-4-cyclohexylpiperazine?
1-butylsulfonyl-4-cyclohexylpiperazine has a molecular weight of 288.46 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-cyclohexylpiperazine is sourced from PubChem (CID 2225128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).