4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C12H22N2S — CID 66244371

IUPAC4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1C1CCSC1
InChIInChI=1S/C12H22N2S/c1-12(2)11-6-13-5-9(11)7-14(12)10-3-4-15-8-10/h9-11,13H,3-8H2,1-2H3
InChIKeyRVPRHUKMSLQLBD-UHFFFAOYSA-N
MW226.39 g/mol
LogP1.42
Rot. Bonds1

About 4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66244371) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66244371
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1C1CCSC1
InChIInChI=1S/C12H22N2S/c1-12(2)11-6-13-5-9(11)7-14(12)10-3-4-15-8-10/h9-11,13H,3-8H2,1-2H3
InChIKeyRVPRHUKMSLQLBD-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole 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-methyl-5-[2-(trifluoromethylsulfanyl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116616963
4,4-Dimethyl-5-[2-(trifluoromethylsulfanyl)ethyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 116616964
N,5-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
CID 138719481
N-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine
CID 138719508
5-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
CID 138719526
5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
CID 139315713
N,5-ditert-butyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
CID 139315769
N,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole
CID 169244945
4-ethyl-5-(thian-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66207524
4-ethyl-5-(thiolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66207538
4,4-Dimethyl-5-(thian-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66207624
3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)thiolane 1,1-dioxide
CID 66208109

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66244371) is 4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC1(C)C2CNCC2CN1C1CCSC1.
What is the InChIKey of 4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is RVPRHUKMSLQLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-12(2)11-6-13-5-9(11)7-14(12)10-3-4-15-8-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 226.39 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(thiolan-3-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66244371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).