3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine

C10H22N2O2S — CID 64834039

IUPAC3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine
SMILESCC1(C)CN(CCCS(C)(=O)=O)CCN1
InChIInChI=1S/C10H22N2O2S/c1-10(2)9-12(7-5-11-10)6-4-8-15(3,13)14/h11H,4-9H2,1-3H3
InChIKeyLLDCGASLXMYWKJ-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.10
Rot. Bonds4

About 3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine

3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine (PubChem CID 64834039) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine
PubChem CID64834039
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine
SMILESCC1(C)CN(CCCS(C)(=O)=O)CCN1
InChIInChI=1S/C10H22N2O2S/c1-10(2)9-12(7-5-11-10)6-4-8-15(3,13)14/h11H,4-9H2,1-3H3
InChIKeyLLDCGASLXMYWKJ-UHFFFAOYSA-N
XLogP0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(7-methyloctyl)piperazine
CID 107818461
1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine
CID 103414045
9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 65097156
N-methyl-1-[3-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]methanamine
CID 106318641
3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperazine
CID 64831695
2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine
CID 64838935
5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine
CID 64849852
3-ethyl-3-methyl-1-(2-methylsulfonylethyl)-1,4-diazepane
CID 64869553
2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine
CID 63190603
3,3-dimethyl-1-(2-methylpropyl)piperazine
CID 64832836
3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine
CID 126539787
(3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine
CID 96540298

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine?
The IUPAC name of 3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine (CID 64834039) is 3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine.
What is the SMILES notation for 3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine?
The canonical SMILES for 3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine is CC1(C)CN(CCCS(C)(=O)=O)CCN1.
What is the InChIKey of 3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine?
The InChIKey is LLDCGASLXMYWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2)9-12(7-5-11-10)6-4-8-15(3,13)14/h11H,4-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine?
3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine has a molecular weight of 234.36 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine is sourced from PubChem (CID 64834039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).