(3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole

C10H12Cl2N2O2S2 — CID 43597637

IUPAC(3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C10H12Cl2N2O2S2/c11-9-3-8(10(12)17-9)18(15,16)14-2-1-6-4-13-5-7(6)14/h3,6-7,13H,1-2,4-5H2/t6-,7+/m0/s1
InChIKeyRVIQHMFEEAPOPL-NKWVEPMBSA-N
MW327.26 g/mol
LogP2.04
Rot. Bonds2

About (3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole

(3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (PubChem CID 43597637) has the molecular formula C10H12Cl2N2O2S2 and a molecular weight of 327.26 g/mol. Its IUPAC name is (3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
PubChem CID43597637
Molecular FormulaC10H12Cl2N2O2S2
Molecular Weight327.26 g/mol
Exact Mass325.97
IUPAC Name(3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C10H12Cl2N2O2S2/c11-9-3-8(10(12)17-9)18(15,16)14-2-1-6-4-13-5-7(6)14/h3,6-7,13H,1-2,4-5H2/t6-,7+/m0/s1
InChIKeyRVIQHMFEEAPOPL-NKWVEPMBSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of (3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (CID 43597637) is (3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for (3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for (3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is O=S(=O)(c1cc(Cl)sc1Cl)N1CC[C@H]2CNC[C@H]21.
What is the InChIKey of (3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The InChIKey is RVIQHMFEEAPOPL-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2S2/c11-9-3-8(10(12)17-9)18(15,16)14-2-1-6-4-13-5-7(6)14/h3,6-7,13H,1-2,4-5H2/t6-,7+/m0/s1.
What are the key properties of (3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
(3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole has a molecular weight of 327.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-1-(2,5-dichlorothiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 43597637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).