3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine

C14H28N2O2S — CID 64954449

IUPAC3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine
SMILESCC(CS(C)(=O)=O)N1CCNC(C2CCCCC2)C1
InChIInChI=1S/C14H28N2O2S/c1-12(11-19(2,17)18)16-9-8-15-14(10-16)13-6-4-3-5-7-13/h12-15H,3-11H2,1-2H3
InChIKeyXNURHFUXTLCFOF-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.27
Rot. Bonds4

About 3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine

3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine (PubChem CID 64954449) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine.

Molecular Properties

Compound Name3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine
PubChem CID64954449
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine
SMILESCC(CS(C)(=O)=O)N1CCNC(C2CCCCC2)C1
InChIInChI=1S/C14H28N2O2S/c1-12(11-19(2,17)18)16-9-8-15-14(10-16)13-6-4-3-5-7-13/h12-15H,3-11H2,1-2H3
InChIKeyXNURHFUXTLCFOF-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-octan-2-ylpiperazine
CID 64925345
3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine
CID 64833283
3-ethyl-1-(1-methylsulfonylpropan-2-yl)-1,4-diazepane
CID 64950632
3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine
CID 64953713
3-cyclopropyl-1-heptan-2-yl-1,4-diazepane
CID 64945390
3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane
CID 64944397
(3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 129229204
(4aS,7aS)-6-butan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678881
3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane
CID 64951403
4-ethyl-1-(1-methylsulfonylpropan-2-yl)-1,5-diazocane
CID 64641535
3-cyclopropyl-1-hexan-2-yl-1,4-diazepane
CID 64950354
3-cyclohexyl-1-(5-methylhexyl)piperazine
CID 115327049

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine?
The IUPAC name of 3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine (CID 64954449) is 3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine.
What is the SMILES notation for 3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine?
The canonical SMILES for 3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine is CC(CS(C)(=O)=O)N1CCNC(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine?
The InChIKey is XNURHFUXTLCFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-12(11-19(2,17)18)16-9-8-15-14(10-16)13-6-4-3-5-7-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine?
3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine has a molecular weight of 288.46 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine is sourced from PubChem (CID 64954449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).