1-(3-methylbutyl)-4-methylsulfonylpiperazine

C10H22N2O2S — CID 58721602

IUPAC1-(3-methylbutyl)-4-methylsulfonylpiperazine
SMILESCC(C)CCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-10(2)4-5-11-6-8-12(9-7-11)15(3,13)14/h10H,4-9H2,1-3H3
InChIKeyGFVHFGHZIFJLQY-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.61
Rot. Bonds4

About 1-(3-methylbutyl)-4-methylsulfonylpiperazine

1-(3-methylbutyl)-4-methylsulfonylpiperazine (PubChem CID 58721602) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(3-methylbutyl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(3-methylbutyl)-4-methylsulfonylpiperazine
PubChem CID58721602
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name1-(3-methylbutyl)-4-methylsulfonylpiperazine
SMILESCC(C)CCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-10(2)4-5-11-6-8-12(9-7-11)15(3,13)14/h10H,4-9H2,1-3H3
InChIKeyGFVHFGHZIFJLQY-UHFFFAOYSA-N
XLogP0.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide
CID 17788376
1-(2,2-Dimethylpropyl)-4-methylsulfonylpiperazine
CID 59148133
N,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide
CID 56806273
1-(2-Methylbutyl)-4-(2-methylsulfonylethyl)piperazine
CID 84592132
N-methyl-3-[4-(3-methylbutyl)piperazin-1-yl]propane-1-sulfonamide
CID 56805875
1-[(2R)-butan-2-yl]-4-methylsulfonylpiperazine
CID 796492
1-[(2S)-butan-2-yl]-4-methylsulfonylpiperazine
CID 796494
1-(Sec-butyl)-4-(methylsulfonyl)piperazine
CID 2881824
N-{2-[4-(aminomethyl)piperidin-1-yl]ethyl}methanesulfonamide
CID 15434369
1-(3-Methylbutyl)-4-(2-methylsulfonylethyl)piperazine
CID 20811810
2-Butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide
CID 21061944
1-Tert-butyl-4-methylsulfonylpiperazine
CID 21132133

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(3-methylbutyl)-4-methylsulfonylpiperazine (CID 58721602) is 1-(3-methylbutyl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(3-methylbutyl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(3-methylbutyl)-4-methylsulfonylpiperazine is CC(C)CCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(3-methylbutyl)-4-methylsulfonylpiperazine?
The InChIKey is GFVHFGHZIFJLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2)4-5-11-6-8-12(9-7-11)15(3,13)14/h10H,4-9H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)-4-methylsulfonylpiperazine?
1-(3-methylbutyl)-4-methylsulfonylpiperazine has a molecular weight of 234.36 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 58721602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).