1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol

C10H21N3O4S — CID 106670197

IUPAC1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol
SMILESO=S(=O)(CCN1CCNCC1)N1CC(O)C(O)C1
InChIInChI=1S/C10H21N3O4S/c14-9-7-13(8-10(9)15)18(16,17)6-5-12-3-1-11-2-4-12/h9-11,14-15H,1-8H2
InChIKeyZCHJRRODXZUUSU-UHFFFAOYSA-N
MW279.36 g/mol
LogP-2.74
Rot. Bonds4

About 1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol

1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol (PubChem CID 106670197) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol
PubChem CID106670197
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Name1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol
SMILESO=S(=O)(CCN1CCNCC1)N1CC(O)C(O)C1
InChIInChI=1S/C10H21N3O4S/c14-9-7-13(8-10(9)15)18(16,17)6-5-12-3-1-11-2-4-12/h9-11,14-15H,1-8H2
InChIKeyZCHJRRODXZUUSU-UHFFFAOYSA-N
XLogP-2.74
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-2.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-piperazin-1-ylethylsulfonyl)azepane
CID 54974083
N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine
CID 63542029
2-piperazin-1-ylethanesulfonamide
CID 54595802
2-piperazin-1-ylethanesulfonamide;hydrochloride
CID 86611202
5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol
CID 66054078
1-[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]piperazine
CID 114460472
[3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol
CID 102782226
1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine
CID 54972040
dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane
CID 145139146
3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine
CID 54972478
1-hydroxyethyl 2-piperazin-1-ylethanesulfonate
CID 87469546
1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
CID 90877511

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol (CID 106670197) is 1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol is O=S(=O)(CCN1CCNCC1)N1CC(O)C(O)C1.
What is the InChIKey of 1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol?
The InChIKey is ZCHJRRODXZUUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c14-9-7-13(8-10(9)15)18(16,17)6-5-12-3-1-11-2-4-12/h9-11,14-15H,1-8H2.
What are the key properties of 1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol?
1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol has a molecular weight of 279.36 g/mol, XLogP of -2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106670197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).