1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine

C10H22N2O3S — CID 59596479

IUPAC1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine
SMILESCC(C)OCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O3S/c1-10(2)15-9-8-11-4-6-12(7-5-11)16(3,13)14/h10H,4-9H2,1-3H3
InChIKeyNXFPKCZRLMGXOA-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.01
Rot. Bonds5

About 1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine

1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine (PubChem CID 59596479) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine.

Molecular Properties

Compound Name1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine
PubChem CID59596479
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine
SMILESCC(C)OCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O3S/c1-10(2)15-9-8-11-4-6-12(7-5-11)16(3,13)14/h10H,4-9H2,1-3H3
InChIKeyNXFPKCZRLMGXOA-UHFFFAOYSA-N
XLogP-0.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol
CID 62994663
1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine
CID 167867117
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methanesulfonamide
CID 47134700
2-(4-methylsulfonylpiperazin-1-yl)ethanol
CID 2762426
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 79594001
4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine
CID 54958213
1-cyclopropyl-4-(2-propan-2-yloxyethyl)piperazine
CID 166028340
1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine
CID 55251864
1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79229270
[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methanamine
CID 61485123
2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine
CID 103152498

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine?
The IUPAC name of 1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine (CID 59596479) is 1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine.
What is the SMILES notation for 1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine?
The canonical SMILES for 1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine is CC(C)OCCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine?
The InChIKey is NXFPKCZRLMGXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-10(2)15-9-8-11-4-6-12(7-5-11)16(3,13)14/h10H,4-9H2,1-3H3.
What are the key properties of 1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine?
1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine has a molecular weight of 250.36 g/mol, XLogP of -0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-(2-propan-2-yloxyethyl)piperazine is sourced from PubChem (CID 59596479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).