1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine

C11H24N2O2S — CID 134590740

IUPAC1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine
SMILESCCC(C)(C)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-5-11(2,3)10-12-6-8-13(9-7-12)16(4,14)15/h5-10H2,1-4H3
InChIKeyYKDGHSVFKPTQRE-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.00
Rot. Bonds4

About 1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine

1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine (PubChem CID 134590740) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine
PubChem CID134590740
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine
SMILESCCC(C)(C)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-5-11(2,3)10-12-6-8-13(9-7-12)16(4,14)15/h5-10H2,1-4H3
InChIKeyYKDGHSVFKPTQRE-UHFFFAOYSA-N
XLogP1.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
CID 63004531
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 63004401
2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 118669191
2-[4,11-bis(carboxymethyl)-8-(2,2-dimethylbutyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 166898539
2-(4-methylsulfonylpiperazin-1-yl)ethanol
CID 2762426
1-hexyl-4-methylsulfonylpiperazine
CID 91481078
1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine
CID 83198486
8-(2-methylbutan-2-yl)-3-methylsulfonyl-3-azabicyclo[3.2.1]octane
CID 167170552
2-amino-2-ethyl-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 79810147
4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide
CID 176878850
2,2-dimethyl-5-(4-methylsulfonylpiperazin-1-yl)pentanoic acid
CID 65254899
2-(aminomethyl)-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 114290672

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine (CID 134590740) is 1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine is CCC(C)(C)CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine?
The InChIKey is YKDGHSVFKPTQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-5-11(2,3)10-12-6-8-13(9-7-12)16(4,14)15/h5-10H2,1-4H3.
What are the key properties of 1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine?
1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine has a molecular weight of 248.39 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 134590740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).