(3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride

C9H20ClN3O2S — CID 120665253

IUPAC(3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride
SMILESCCN(C)S(=O)(=O)N1C[C@H]2CNC[C@H]2C1.Cl
InChIInChI=1S/C9H19N3O2S.ClH/c1-3-11(2)15(13,14)12-6-8-4-10-5-9(8)7-12;/h8-10H,3-7H2,1-2H3;1H/t8-,9+;
InChIKeyAQCONBSBORHYKN-UFIFRZAQSA-N
MW269.80 g/mol
LogP-0.24
Rot. Bonds3

About (3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride

(3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride (PubChem CID 120665253) has the molecular formula C9H20ClN3O2S and a molecular weight of 269.80 g/mol. Its IUPAC name is (3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name(3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride
PubChem CID120665253
Molecular FormulaC9H20ClN3O2S
Molecular Weight269.80 g/mol
Exact Mass269.10
IUPAC Name(3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride
SMILESCCN(C)S(=O)(=O)N1C[C@H]2CNC[C@H]2C1.Cl
InChIInChI=1S/C9H19N3O2S.ClH/c1-3-11(2)15(13,14)12-6-8-4-10-5-9(8)7-12;/h8-10H,3-7H2,1-2H3;1H/t8-,9+;
InChIKeyAQCONBSBORHYKN-UFIFRZAQSA-N
XLogP-0.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-ethyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119963738
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119977584
5-(methylsulfonylmethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 82843470
N-ethyl-N-methylthiomorpholine-4-sulfonamide
CID 58831796
(3aR,6aS)-5-but-3-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665265
N,N-diethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide
CID 66208228
N,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide
CID 66244821
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 119977585
N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide
CID 63873091
5-(3,5-dimethylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213569
3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
CID 120585460
5-(4-ethylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211625

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride?
The IUPAC name of (3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride (CID 120665253) is (3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride.
What is the SMILES notation for (3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride?
The canonical SMILES for (3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride is CCN(C)S(=O)(=O)N1C[C@H]2CNC[C@H]2C1.Cl.
What is the InChIKey of (3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride?
The InChIKey is AQCONBSBORHYKN-UFIFRZAQSA-N. The full InChI is InChI=1S/C9H19N3O2S.ClH/c1-3-11(2)15(13,14)12-6-8-4-10-5-9(8)7-12;/h8-10H,3-7H2,1-2H3;1H/t8-,9+;.
What are the key properties of (3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride?
(3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride has a molecular weight of 269.80 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-N-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120665253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).