3-ethyl-2-propan-2-ylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

C10H17N3O2S — CID 118613976

IUPAC3-ethyl-2-propan-2-ylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCCn1c(S(=O)(=O)C(C)C)nc2c1CNC2
InChIInChI=1S/C10H17N3O2S/c1-4-13-9-6-11-5-8(9)12-10(13)16(14,15)7(2)3/h7,11H,4-6H2,1-3H3
InChIKeyWFOMQKVDUHHPES-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.69
Rot. Bonds3

About 3-ethyl-2-propan-2-ylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

3-ethyl-2-propan-2-ylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (PubChem CID 118613976) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-ethyl-2-propan-2-ylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-ethyl-2-propan-2-ylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
PubChem CID118613976
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-ethyl-2-propan-2-ylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCCn1c(S(=O)(=O)C(C)C)nc2c1CNC2
InChIInChI=1S/C10H17N3O2S/c1-4-13-9-6-11-5-8(9)12-10(13)16(14,15)7(2)3/h7,11H,4-6H2,1-3H3
InChIKeyWFOMQKVDUHHPES-UHFFFAOYSA-N
XLogP0.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propan-2-ylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 3-ethyl-2-propan-2-ylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (CID 118613976) is 3-ethyl-2-propan-2-ylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-ethyl-2-propan-2-ylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-ethyl-2-propan-2-ylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is CCn1c(S(=O)(=O)C(C)C)nc2c1CNC2.
What is the InChIKey of 3-ethyl-2-propan-2-ylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The InChIKey is WFOMQKVDUHHPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-4-13-9-6-11-5-8(9)12-10(13)16(14,15)7(2)3/h7,11H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-2-propan-2-ylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
3-ethyl-2-propan-2-ylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole has a molecular weight of 243.33 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propan-2-ylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).