1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol

C10H21NO4S — CID 106729248

IUPAC1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol
SMILESCC(C)(C)S(=O)(=O)CCN1CC(O)C(O)C1
InChIInChI=1S/C10H21NO4S/c1-10(2,3)16(14,15)5-4-11-6-8(12)9(13)7-11/h8-9,12-13H,4-7H2,1-3H3
InChIKeyQWZVVEPFMKCAHZ-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.76
Rot. Bonds3

About 1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol

1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol (PubChem CID 106729248) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol
PubChem CID106729248
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol
SMILESCC(C)(C)S(=O)(=O)CCN1CC(O)C(O)C1
InChIInChI=1S/C10H21NO4S/c1-10(2,3)16(14,15)5-4-11-6-8(12)9(13)7-11/h8-9,12-13H,4-7H2,1-3H3
InChIKeyQWZVVEPFMKCAHZ-UHFFFAOYSA-N
XLogP-0.76
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol
CID 103738839
1-(2-tert-butylsulfonylethyl)-3-methylpiperazine
CID 103815500
methyl 1-(2-tert-butylsulfonylethyl)-4-methylpyrrolidine-3-carboxylate
CID 113254226
3-[4-(2-tert-butylsulfonylethyl)piperazin-1-yl]propanoic acid
CID 106727406
3-(2-tert-butylsulfonylethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 103815561
4-(2-tert-butylsulfonylethyl)morpholine-2-carbothioamide
CID 106724887
1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide
CID 106725367
1-(2-tert-butylsulfonylethyl)-3-ethylazetidin-3-amine
CID 106731517
1-(2-tert-butylsulfonylethyl)-3-propylpiperazine
CID 106732688
N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 106725817
1-[2-(tert-butylamino)ethyl]pyrrolidine-3,4-diol
CID 106673574
1-(2-tert-butylsulfonylethyl)-4-(2-chloroethoxy)piperidine
CID 106731247

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol (CID 106729248) is 1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol is CC(C)(C)S(=O)(=O)CCN1CC(O)C(O)C1.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol?
The InChIKey is QWZVVEPFMKCAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-10(2,3)16(14,15)5-4-11-6-8(12)9(13)7-11/h8-9,12-13H,4-7H2,1-3H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol?
1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol has a molecular weight of 251.35 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106729248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).