1-(2-methylhexan-2-yl)-4-methylsulfonylpiperazine

C12H26N2O2S — CID 146437625

IUPAC1-(2-methylhexan-2-yl)-4-methylsulfonylpiperazine
SMILESCCCCC(C)(C)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-5-6-7-12(2,3)13-8-10-14(11-9-13)17(4,15)16/h5-11H2,1-4H3
InChIKeyWPFQKADDVFEYBX-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.53
Rot. Bonds5

About 1-(2-methylhexan-2-yl)-4-methylsulfonylpiperazine

1-(2-methylhexan-2-yl)-4-methylsulfonylpiperazine (PubChem CID 146437625) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(2-methylhexan-2-yl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methylhexan-2-yl)-4-methylsulfonylpiperazine
PubChem CID146437625
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name1-(2-methylhexan-2-yl)-4-methylsulfonylpiperazine
SMILESCCCCC(C)(C)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-5-6-7-12(2,3)13-8-10-14(11-9-13)17(4,15)16/h5-11H2,1-4H3
InChIKeyWPFQKADDVFEYBX-UHFFFAOYSA-N
XLogP1.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-4-(methylsulfonyl)piperazine
CID 787179
N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide
CID 94197261
N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride
CID 126478381
6,6,6-Trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine
CID 116535289
Methanesulfonamide, N-methyl-N-(1,2,2,6,6-pentamethyl-4-piperidyl)-
CID 618942
N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide
CID 20780604
N-tert-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine
CID 21061626
N-methyl-N-(1-methylpiperidin-3-yl)methanesulfonamide
CID 54215494
N,N-dimethyl-1-methylsulfonylpiperidin-3-amine
CID 58035151
2,2-Dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine
CID 58405018
N-(2-piperidin-1-ylethyl)-N-propan-2-ylmethanesulfonamide
CID 58659540
1-(3-Methylbutyl)-4-methylsulfonylpiperazine
CID 58721602

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylhexan-2-yl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(2-methylhexan-2-yl)-4-methylsulfonylpiperazine (CID 146437625) is 1-(2-methylhexan-2-yl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(2-methylhexan-2-yl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(2-methylhexan-2-yl)-4-methylsulfonylpiperazine is CCCCC(C)(C)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(2-methylhexan-2-yl)-4-methylsulfonylpiperazine?
The InChIKey is WPFQKADDVFEYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-5-6-7-12(2,3)13-8-10-14(11-9-13)17(4,15)16/h5-11H2,1-4H3.
What are the key properties of 1-(2-methylhexan-2-yl)-4-methylsulfonylpiperazine?
1-(2-methylhexan-2-yl)-4-methylsulfonylpiperazine has a molecular weight of 262.42 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylhexan-2-yl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 146437625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).