5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine

C15H32N2O2S — CID 64940326

IUPAC5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C(C)(C)C)CN1C(C)CS(C)(=O)=O
InChIInChI=1S/C15H32N2O2S/c1-11(2)13-8-16-14(15(4,5)6)9-17(13)12(3)10-20(7,18)19/h11-14,16H,8-10H2,1-7H3
InChIKeyDSIJBBNLVMCKGU-UHFFFAOYSA-N
MW304.50 g/mol
LogP1.76
Rot. Bonds4

About 5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine

5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine (PubChem CID 64940326) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine
PubChem CID64940326
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C(C)(C)C)CN1C(C)CS(C)(=O)=O
InChIInChI=1S/C15H32N2O2S/c1-11(2)13-8-16-14(15(4,5)6)9-17(13)12(3)10-20(7,18)19/h11-14,16H,8-10H2,1-7H3
InChIKeyDSIJBBNLVMCKGU-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-1-(1-cyclopropylpropan-2-yl)-2-propan-2-ylpiperazine
CID 64939505
5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine
CID 64947778
9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64940325
5-tert-butyl-1-(cyclopropylmethyl)-2-propan-2-ylpiperazine
CID 64842219
5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 106294168
5-tert-butyl-2-methyl-1-propan-2-ylpiperazine
CID 64841228
5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
CID 64840877
5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine
CID 114129890
4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946962
5-tert-butyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 106211932
5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930661
5-tert-butyl-1-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64843383

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine (CID 64940326) is 5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine is CC(C)C1CNC(C(C)(C)C)CN1C(C)CS(C)(=O)=O.
What is the InChIKey of 5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine?
The InChIKey is DSIJBBNLVMCKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-11(2)13-8-16-14(15(4,5)6)9-17(13)12(3)10-20(7,18)19/h11-14,16H,8-10H2,1-7H3.
What are the key properties of 5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine?
5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine has a molecular weight of 304.50 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64940326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).