N-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethyl)methanesulfonamide

C8H17N3O2S — CID 20761882

IUPACN-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC1NCC2CNCC21
InChIInChI=1S/C8H17N3O2S/c1-14(12,13)11-5-8-7-4-9-2-6(7)3-10-8/h6-11H,2-5H2,1H3
InChIKeyBFQJVPJFQQBDSE-UHFFFAOYSA-N
MW219.31 g/mol
LogP-1.66
Rot. Bonds3

About N-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethyl)methanesulfonamide

N-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethyl)methanesulfonamide (PubChem CID 20761882) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethyl)methanesulfonamide
PubChem CID20761882
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC1NCC2CNCC21
InChIInChI=1S/C8H17N3O2S/c1-14(12,13)11-5-8-7-4-9-2-6(7)3-10-8/h6-11H,2-5H2,1H3
InChIKeyBFQJVPJFQQBDSE-UHFFFAOYSA-N
XLogP-1.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethyl)methanesulfonamide?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethyl)methanesulfonamide (CID 20761882) is N-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethyl)methanesulfonamide is CS(=O)(=O)NCC1NCC2CNCC21.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethyl)methanesulfonamide?
The InChIKey is BFQJVPJFQQBDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-14(12,13)11-5-8-7-4-9-2-6(7)3-10-8/h6-11H,2-5H2,1H3.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethyl)methanesulfonamide?
N-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethyl)methanesulfonamide has a molecular weight of 219.31 g/mol, XLogP of -1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 20761882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).