3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine

C12H27N3O3S — CID 79594001

IUPAC3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine
SMILESCC(C)OCCS(=O)(=O)N1CCN(CCCN)CC1
InChIInChI=1S/C12H27N3O3S/c1-12(2)18-10-11-19(16,17)15-8-6-14(7-9-15)5-3-4-13/h12H,3-11,13H2,1-2H3
InChIKeyHSVHAVMWQGBWMI-UHFFFAOYSA-N
MW293.43 g/mol
LogP-0.29
Rot. Bonds8

About 3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine

3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine (PubChem CID 79594001) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine
PubChem CID79594001
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC Name3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine
SMILESCC(C)OCCS(=O)(=O)N1CCN(CCCN)CC1
InChIInChI=1S/C12H27N3O3S/c1-12(2)18-10-11-19(16,17)15-8-6-14(7-9-15)5-3-4-13/h12H,3-11,13H2,1-2H3
InChIKeyHSVHAVMWQGBWMI-UHFFFAOYSA-N
XLogP-0.29
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79229270
4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine
CID 55010068
5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine
CID 55010115
2-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]ethanethioamide
CID 79594381
3-[4-(3-methylbutylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63832630
5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine
CID 63832633
3-[4-(3-methoxypropylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63289792
4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine
CID 54958213
1-(2-propan-2-yloxyethylsulfonyl)azepane
CID 79229911
1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine
CID 167867117
[4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine
CID 107160245
5-[4-(2-ethoxyethylsulfonyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 63245672

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine (CID 79594001) is 3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine is CC(C)OCCS(=O)(=O)N1CCN(CCCN)CC1.
What is the InChIKey of 3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine?
The InChIKey is HSVHAVMWQGBWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-12(2)18-10-11-19(16,17)15-8-6-14(7-9-15)5-3-4-13/h12H,3-11,13H2,1-2H3.
What are the key properties of 3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine?
3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of -0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 79594001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).