1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine

C10H22N2O3S — CID 79229270

IUPAC1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
SMILESCC(C)OCCS(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C10H22N2O3S/c1-10(2)15-8-9-16(13,14)12-6-4-11(3)5-7-12/h10H,4-9H2,1-3H3
InChIKeyHYYPEYUUYJTMGP-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.01
Rot. Bonds5

About 1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine

1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine (PubChem CID 79229270) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
PubChem CID79229270
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
SMILESCC(C)OCCS(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C10H22N2O3S/c1-10(2)15-8-9-16(13,14)12-6-4-11(3)5-7-12/h10H,4-9H2,1-3H3
InChIKeyHYYPEYUUYJTMGP-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

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Related Compounds

1-(2-propan-2-yloxyethylsulfonyl)azepane
CID 79229911
3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 79594001
4-(1-chloroethyl)-1-(2-propan-2-yloxyethylsulfonyl)piperidine
CID 106839507
2-methyl-2-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propanenitrile
CID 79593694
2-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]ethanethioamide
CID 79594381
(2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119343269
[4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine
CID 107160245
1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine
CID 167867117
N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 79600882
(2S)-2-amino-3,3-dimethyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119818068
4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbothioamide
CID 107161256
3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79594491

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine?
The IUPAC name of 1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine (CID 79229270) is 1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine?
The canonical SMILES for 1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine is CC(C)OCCS(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine?
The InChIKey is HYYPEYUUYJTMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-10(2)15-8-9-16(13,14)12-6-4-11(3)5-7-12/h10H,4-9H2,1-3H3.
What are the key properties of 1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine?
1-methyl-4-(2-propan-2-yloxyethylsulfonyl)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-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine is sourced from PubChem (CID 79229270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).