3,3-dimethyl-1-propan-2-ylsulfonylpiperazine

C9H20N2O2S — CID 82994561

IUPAC3,3-dimethyl-1-propan-2-ylsulfonylpiperazine
SMILESCC(C)S(=O)(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C9H20N2O2S/c1-8(2)14(12,13)11-6-5-10-9(3,4)7-11/h8,10H,5-7H2,1-4H3
InChIKeyDIRFELQHBQDMQV-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.41
Rot. Bonds2

About 3,3-dimethyl-1-propan-2-ylsulfonylpiperazine

3,3-dimethyl-1-propan-2-ylsulfonylpiperazine (PubChem CID 82994561) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-propan-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-propan-2-ylsulfonylpiperazine
PubChem CID82994561
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name3,3-dimethyl-1-propan-2-ylsulfonylpiperazine
SMILESCC(C)S(=O)(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C9H20N2O2S/c1-8(2)14(12,13)11-6-5-10-9(3,4)7-11/h8,10H,5-7H2,1-4H3
InChIKeyDIRFELQHBQDMQV-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine
CID 82994653
3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 82994734
1-propan-2-ylsulfonylimidazolidine
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(6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane
CID 97449155
8-propan-2-ylsulfonyl-2,8-diazaspiro[4.5]decane
CID 115276469
6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane
CID 130815616
3-methyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135913
(2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one
CID 130635624
3,3-dimethyl-1-(2-methylpropyl)piperazine
CID 64832836
1-(3,3-dimethylbutan-2-yl)-3,3-dimethylpiperazine
CID 104830208
4-propan-2-ylsulfonylpiperazine-2,6-dione
CID 66085193
3,3-dimethyl-1-(4-propylphenyl)sulfonylpiperazine
CID 82994043

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propan-2-ylsulfonylpiperazine?
The IUPAC name of 3,3-dimethyl-1-propan-2-ylsulfonylpiperazine (CID 82994561) is 3,3-dimethyl-1-propan-2-ylsulfonylpiperazine.
What is the SMILES notation for 3,3-dimethyl-1-propan-2-ylsulfonylpiperazine?
The canonical SMILES for 3,3-dimethyl-1-propan-2-ylsulfonylpiperazine is CC(C)S(=O)(=O)N1CCNC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-propan-2-ylsulfonylpiperazine?
The InChIKey is DIRFELQHBQDMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8(2)14(12,13)11-6-5-10-9(3,4)7-11/h8,10H,5-7H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-propan-2-ylsulfonylpiperazine?
3,3-dimethyl-1-propan-2-ylsulfonylpiperazine has a molecular weight of 220.34 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-propan-2-ylsulfonylpiperazine is sourced from PubChem (CID 82994561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).