3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine

C10H22N2O3S — CID 79594491

IUPAC3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)CCOC(C)C)CCN1
InChIInChI=1S/C10H22N2O3S/c1-9(2)15-6-7-16(13,14)12-5-4-11-10(3)8-12/h9-11H,4-8H2,1-3H3
InChIKeyLRUHYEJAMGQYTI-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.03
Rot. Bonds5

About 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine

3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine (PubChem CID 79594491) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
PubChem CID79594491
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)CCOC(C)C)CCN1
InChIInChI=1S/C10H22N2O3S/c1-9(2)15-6-7-16(13,14)12-5-4-11-10(3)8-12/h9-11H,4-8H2,1-3H3
InChIKeyLRUHYEJAMGQYTI-UHFFFAOYSA-N
XLogP0.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)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

3,5-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79594489
(3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine
CID 104975178
(3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine
CID 104975175
3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 82994734
1-(2-propan-2-yloxyethylsulfonyl)azepane
CID 79229911
[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 79594313
(3R)-3-methylpiperazine-1-sulfonyl chloride
CID 167734783
1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553283
1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79229270
1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride
CID 119981901
4-(1-chloroethyl)-1-(2-propan-2-yloxyethylsulfonyl)piperidine
CID 106839507
1-(difluoromethylsulfonyl)-3-methylpiperazine
CID 65450334

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine?
The IUPAC name of 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine (CID 79594491) is 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine.
What is the SMILES notation for 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine?
The canonical SMILES for 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine is CC1CN(S(=O)(=O)CCOC(C)C)CCN1.
What is the InChIKey of 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine?
The InChIKey is LRUHYEJAMGQYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-9(2)15-6-7-16(13,14)12-5-4-11-10(3)8-12/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine?
3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine has a molecular weight of 250.36 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine is sourced from PubChem (CID 79594491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).