1-methylsulfonyl-4-propan-2-ylpiperazine

C8H18N2O2S — CID 764754

IUPAC1-methylsulfonyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-8(2)9-4-6-10(7-5-9)13(3,11)12/h8H,4-7H2,1-3H3
InChIKeyPQWQHFRAYORBLC-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.03
Rot. Bonds2

About 1-methylsulfonyl-4-propan-2-ylpiperazine

1-methylsulfonyl-4-propan-2-ylpiperazine (PubChem CID 764754) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-methylsulfonyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-methylsulfonyl-4-propan-2-ylpiperazine
PubChem CID764754
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-methylsulfonyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-8(2)9-4-6-10(7-5-9)13(3,11)12/h8H,4-7H2,1-3H3
InChIKeyPQWQHFRAYORBLC-UHFFFAOYSA-N
XLogP-0.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Methanesulfonyl)-4-methylpiperazine
CID 817770
Cambridge id 6502799
CID 1529500
1-(2,2-Dimethylpropyl)-4-methylsulfonylpiperazine
CID 59148133
1-Methylsulfonyl-4-pentan-3-ylpiperazine
CID 130370553
1-Ethylsulfonyl-4-pentan-3-ylpiperazine
CID 777525
1-Ethyl-4-(methylsulfonyl)piperazine
CID 4205089
1-Methylsulfonyl-4-pent-3-ynylpiperazine
CID 132284318
N-[[1-butan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-ethylmethanesulfonamide
CID 70811745
N-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 70939957
N-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 88991535
N-[[1-butan-2-yl-4-(2,2-difluoroethyl)piperazin-2-yl]methyl]-N-ethylmethanesulfonamide
CID 88991615
N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]-N-methylmethanesulfonamide
CID 89901742

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-methylsulfonyl-4-propan-2-ylpiperazine (CID 764754) is 1-methylsulfonyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-methylsulfonyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-methylsulfonyl-4-propan-2-ylpiperazine is CC(C)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-4-propan-2-ylpiperazine?
The InChIKey is PQWQHFRAYORBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8(2)9-4-6-10(7-5-9)13(3,11)12/h8H,4-7H2,1-3H3.
What are the key properties of 1-methylsulfonyl-4-propan-2-ylpiperazine?
1-methylsulfonyl-4-propan-2-ylpiperazine has a molecular weight of 206.31 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 764754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).