3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide

C10H18N2O2S — CID 63172717

IUPAC3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CC3CNCC3C2)C1
InChIInChI=1S/C10H18N2O2S/c13-15(14)2-1-10(7-15)12-5-8-3-11-4-9(8)6-12/h8-11H,1-7H2
InChIKeyFJDUXJAQXYPHNR-UHFFFAOYSA-N
MW230.33 g/mol
LogP-0.68
Rot. Bonds1

About 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide

3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide (PubChem CID 63172717) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide
PubChem CID63172717
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CC3CNCC3C2)C1
InChIInChI=1S/C10H18N2O2S/c13-15(14)2-1-10(7-15)12-5-8-3-11-4-9(8)6-12/h8-11H,1-7H2
InChIKeyFJDUXJAQXYPHNR-UHFFFAOYSA-N
XLogP-0.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3aS,6aR)-5-methanidyl-3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrol-5-ium 2,2-dioxide
CID 57868363
5-(3-ethylsulfonylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 65440276
(3aR)-5-(3-methylsulfonylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;molecular hydrogen
CID 144962938
3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide
CID 43597546
N-[(1,1-dioxothiolan-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 54961166
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxothiolan-3-amine
CID 55139770
N-[(1-methylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 60855255
N-[(1-ethylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 60856202
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 60857481
5-(2-methylsulfonylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916574
1,1-dioxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiolan-3-amine
CID 61209294
N-(1,1-dioxothiolan-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 61515166

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide (CID 63172717) is 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(N2CC3CNCC3C2)C1.
What is the InChIKey of 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide?
The InChIKey is FJDUXJAQXYPHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c13-15(14)2-1-10(7-15)12-5-8-3-11-4-9(8)6-12/h8-11H,1-7H2.
What are the key properties of 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide?
3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide has a molecular weight of 230.33 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 63172717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).