1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine

C16H33N3O2S — CID 153452685

IUPAC1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine
SMILESCC(C)(C)N1CCN(S(=O)(=O)C2CCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C16H33N3O2S/c1-15(2,3)17-9-11-19(12-10-17)22(20,21)14-7-8-18(13-14)16(4,5)6/h14H,7-13H2,1-6H3
InChIKeyUIBCKMWJXXLQOB-UHFFFAOYSA-N
MW331.53 g/mol
LogP1.61
Rot. Bonds2

About 1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine

1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine (PubChem CID 153452685) has the molecular formula C16H33N3O2S and a molecular weight of 331.53 g/mol. Its IUPAC name is 1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine
PubChem CID153452685
Molecular FormulaC16H33N3O2S
Molecular Weight331.53 g/mol
Exact Mass331.23
IUPAC Name1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine
SMILESCC(C)(C)N1CCN(S(=O)(=O)C2CCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C16H33N3O2S/c1-15(2,3)17-9-11-19(12-10-17)22(20,21)14-7-8-18(13-14)16(4,5)6/h14H,7-13H2,1-6H3
InChIKeyUIBCKMWJXXLQOB-UHFFFAOYSA-N
XLogP1.61
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629837
1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
4-tert-butylpiperazine-1-sulfonyl chloride
CID 114958282
1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629990
4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine
CID 142336137
1-tert-butyl-3-methylsulfonylpiperidine
CID 59640673
1-tert-butyl-4-(cyclohexylmethylsulfonyl)piperazine
CID 59691463
1-tert-butyl-3-(4-tert-butylcyclohexyl)sulfonylazetidine
CID 153186036
(3R)-1-tert-butyl-3-methylcyclopentane;1,3-ditert-butylazetidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;ethane
CID 165073914
2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol
CID 177116525
1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;methane
CID 159756767
1-tert-butyl-4-(fluoromethylsulfonyl)piperazine
CID 153495835

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine?
The IUPAC name of 1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine (CID 153452685) is 1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine.
What is the SMILES notation for 1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine?
The canonical SMILES for 1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine is CC(C)(C)N1CCN(S(=O)(=O)C2CCN(C(C)(C)C)C2)CC1.
What is the InChIKey of 1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine?
The InChIKey is UIBCKMWJXXLQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2S/c1-15(2,3)17-9-11-19(12-10-17)22(20,21)14-7-8-18(13-14)16(4,5)6/h14H,7-13H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine?
1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine has a molecular weight of 331.53 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine is sourced from PubChem (CID 153452685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).