1-cyclopropylsulfonyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole

C12H21NO2S — CID 128512397

IUPAC1-cyclopropylsulfonyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole
SMILESCC1(C)CN(S(=O)(=O)C2CC2)C2CCCC21
InChIInChI=1S/C12H21NO2S/c1-12(2)8-13(11-5-3-4-10(11)12)16(14,15)9-6-7-9/h9-11H,3-8H2,1-2H3
InChIKeyFHSKGCIHIWUGLN-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.99
Rot. Bonds2

About 1-cyclopropylsulfonyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole

1-cyclopropylsulfonyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole (PubChem CID 128512397) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole
PubChem CID128512397
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name1-cyclopropylsulfonyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole
SMILESCC1(C)CN(S(=O)(=O)C2CC2)C2CCCC21
InChIInChI=1S/C12H21NO2S/c1-12(2)8-13(11-5-3-4-10(11)12)16(14,15)9-6-7-9/h9-11H,3-8H2,1-2H3
InChIKeyFHSKGCIHIWUGLN-UHFFFAOYSA-N
XLogP1.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole?
The IUPAC name of 1-cyclopropylsulfonyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole (CID 128512397) is 1-cyclopropylsulfonyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 1-cyclopropylsulfonyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole?
The canonical SMILES for 1-cyclopropylsulfonyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole is CC1(C)CN(S(=O)(=O)C2CC2)C2CCCC21.
What is the InChIKey of 1-cyclopropylsulfonyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole?
The InChIKey is FHSKGCIHIWUGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-12(2)8-13(11-5-3-4-10(11)12)16(14,15)9-6-7-9/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-cyclopropylsulfonyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole?
1-cyclopropylsulfonyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole has a molecular weight of 243.37 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 128512397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).