[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol

C11H23N3O4S — CID 176895165

IUPAC[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol
SMILESNC1CCN(S(=O)(=O)N2CCCC(C(O)O)C2)CC1
InChIInChI=1S/C11H23N3O4S/c12-10-3-6-13(7-4-10)19(17,18)14-5-1-2-9(8-14)11(15)16/h9-11,15-16H,1-8,12H2
InChIKeyBMGPFZNMQUGJAU-UHFFFAOYSA-N
MW293.39 g/mol
LogP-1.32
Rot. Bonds3

About [1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol

[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol (PubChem CID 176895165) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is [1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol.

Molecular Properties

Compound Name[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol
PubChem CID176895165
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Name[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol
SMILESNC1CCN(S(=O)(=O)N2CCCC(C(O)O)C2)CC1
InChIInChI=1S/C11H23N3O4S/c12-10-3-6-13(7-4-10)19(17,18)14-5-1-2-9(8-14)11(15)16/h9-11,15-16H,1-8,12H2
InChIKeyBMGPFZNMQUGJAU-UHFFFAOYSA-N
XLogP-1.32
TPSA107.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine
CID 80553921
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 115302221
N-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63852791
(3R)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962874
(3S)-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 94340323
(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
CID 79031701
2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide
CID 94192743
3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid
CID 81043263
methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate
CID 102984420
1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol
CID 103834616
N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63852792
1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 103494329

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol?
The IUPAC name of [1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol (CID 176895165) is [1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol.
What is the SMILES notation for [1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol?
The canonical SMILES for [1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol is NC1CCN(S(=O)(=O)N2CCCC(C(O)O)C2)CC1.
What is the InChIKey of [1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol?
The InChIKey is BMGPFZNMQUGJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c12-10-3-6-13(7-4-10)19(17,18)14-5-1-2-9(8-14)11(15)16/h9-11,15-16H,1-8,12H2.
What are the key properties of [1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol?
[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol has a molecular weight of 293.39 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol is sourced from PubChem (CID 176895165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).