1-cyclopropylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole

C10H18N2O2S — CID 64555173

IUPAC1-cyclopropylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
SMILESCC1CC2CNCC2N1S(=O)(=O)C1CC1
InChIInChI=1S/C10H18N2O2S/c1-7-4-8-5-11-6-10(8)12(7)15(13,14)9-2-3-9/h7-11H,2-6H2,1H3
InChIKeyAPCBWOXRWJMIQY-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.16
Rot. Bonds2

About 1-cyclopropylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole

1-cyclopropylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole (PubChem CID 64555173) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
PubChem CID64555173
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-cyclopropylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
SMILESCC1CC2CNCC2N1S(=O)(=O)C1CC1
InChIInChI=1S/C10H18N2O2S/c1-7-4-8-5-11-6-10(8)12(7)15(13,14)9-2-3-9/h7-11H,2-6H2,1H3
InChIKeyAPCBWOXRWJMIQY-UHFFFAOYSA-N
XLogP0.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole?
The IUPAC name of 1-cyclopropylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole (CID 64555173) is 1-cyclopropylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole.
What is the SMILES notation for 1-cyclopropylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole?
The canonical SMILES for 1-cyclopropylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole is CC1CC2CNCC2N1S(=O)(=O)C1CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole?
The InChIKey is APCBWOXRWJMIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-7-4-8-5-11-6-10(8)12(7)15(13,14)9-2-3-9/h7-11H,2-6H2,1H3.
What are the key properties of 1-cyclopropylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole?
1-cyclopropylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole has a molecular weight of 230.33 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole is sourced from PubChem (CID 64555173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).