(3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide

C10H21N3O2S — CID 104978113

IUPAC(3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C10H21N3O2S/c1-10(2,3)12-16(14,15)13-5-4-8-6-11-7-9(8)13/h8-9,11-12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyINSILPFMJBJGHL-DTWKUNHWSA-N
MW247.36 g/mol
LogP-0.09
Rot. Bonds2

About (3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide

(3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide (PubChem CID 104978113) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is (3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide.

Molecular Properties

Compound Name(3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide
PubChem CID104978113
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name(3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C10H21N3O2S/c1-10(2,3)12-16(14,15)13-5-4-8-6-11-7-9(8)13/h8-9,11-12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyINSILPFMJBJGHL-DTWKUNHWSA-N
XLogP-0.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

methyl N-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]sulfonyl]carbamate
CID 104929236
N-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide
CID 76904465
N-tert-butyl-2-methylpiperazine-1-sulfonamide
CID 114810673
(3aS,6aS)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43597542
N-tert-butyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide
CID 102680557
(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959
(3aS,6aS)-1-(1-methylpyrrol-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43597642
(3aR,6aR)-1-(2-oxabicyclo[3.1.1]heptan-4-ylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 166327172
methyl 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]sulfonyl]thiophene-2-carboxylate
CID 43597562
(3aS,6aS)-1-(2,5-dichlorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43597639
N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide
CID 114813122
(3aS,6aS)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43597671

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide?
The IUPAC name of (3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide (CID 104978113) is (3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide.
What is the SMILES notation for (3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide?
The canonical SMILES for (3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide is CC(C)(C)NS(=O)(=O)N1CC[C@H]2CNC[C@H]21.
What is the InChIKey of (3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide?
The InChIKey is INSILPFMJBJGHL-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-10(2,3)12-16(14,15)13-5-4-8-6-11-7-9(8)13/h8-9,11-12H,4-7H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide?
(3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide has a molecular weight of 247.36 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide is sourced from PubChem (CID 104978113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).