2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propan-1-amine

C12H25N3O3S — CID 63340795

IUPAC2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(S(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C12H25N3O3S/c1-11(10-13)14-4-6-15(7-5-14)19(16,17)12-2-8-18-9-3-12/h11-12H,2-10,13H2,1H3
InChIKeyGJUJKKZJZNUXAA-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.54
Rot. Bonds4

About 2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propan-1-amine

2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propan-1-amine (PubChem CID 63340795) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propan-1-amine
PubChem CID63340795
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(S(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C12H25N3O3S/c1-11(10-13)14-4-6-15(7-5-14)19(16,17)12-2-8-18-9-3-12/h11-12H,2-10,13H2,1H3
InChIKeyGJUJKKZJZNUXAA-UHFFFAOYSA-N
XLogP-0.54
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[oxan-4-yl(propan-2-yl)amino]ethyl]ethanesulfonamide
CID 72003186
N-(2-morpholin-4-ylpropyl)propane-1-sulfonamide
CID 75414492
1-(Oxan-4-ylsulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine
CID 71977819
1-(oxan-4-ylsulfonyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazine
CID 97592875
1-(oxan-4-ylsulfonyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine
CID 97592876
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-3-sulfonamide;hydrochloride
CID 120876973
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-3-sulfonamide
CID 120876974
N-[2-[butan-2-yl(methyl)amino]ethyl]oxane-4-sulfonamide
CID 56803800
1-[(Tetrahydro-2H-pyran-4-yl)sulfonyl]piperazine
CID 62050105
1-Methyl-4-(oxan-4-ylsulfonyl)piperazine
CID 63239741
3-Methyl-1-(oxan-4-ylsulfonyl)piperazine
CID 65448066
1-(Oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine
CID 126752827

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propan-1-amine (CID 63340795) is 2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propan-1-amine is CC(CN)N1CCN(S(=O)(=O)C2CCOCC2)CC1.
What is the InChIKey of 2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propan-1-amine?
The InChIKey is GJUJKKZJZNUXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-11(10-13)14-4-6-15(7-5-14)19(16,17)12-2-8-18-9-3-12/h11-12H,2-10,13H2,1H3.
What are the key properties of 2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propan-1-amine?
2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propan-1-amine has a molecular weight of 291.42 g/mol, XLogP of -0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 63340795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).