(3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole

C9H18N2S — CID 145242260

IUPAC(3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole
SMILESCN1C[C@@]2(C)CCN(S)[C@@]2(C)C1
InChIInChI=1S/C9H18N2S/c1-8-4-5-11(12)9(8,2)7-10(3)6-8/h12H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyKFZYFJZCSLOBPJ-BDAKNGLRSA-N
MW186.32 g/mol
LogP1.25
Rot. Bonds

About (3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole

(3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole (PubChem CID 145242260) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is (3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole
PubChem CID145242260
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name(3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole
SMILESCN1C[C@@]2(C)CCN(S)[C@@]2(C)C1
InChIInChI=1S/C9H18N2S/c1-8-4-5-11(12)9(8,2)7-10(3)6-8/h12H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyKFZYFJZCSLOBPJ-BDAKNGLRSA-N
XLogP1.25
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-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

4a,7a-dimethyl-6-propan-2-yl-1-sulfanyl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine
CID 145242197
(7aS)-1,3a,7a-trimethyl-6-sulfanyl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine
CID 145242216
ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane
CID 168910371
1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine
CID 160555992
3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
CID 126796964
(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole
CID 157157728
(4aS,8aS)-4a,8a-dimethyl-2-sulfanyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline
CID 142337413
1,3,3,5,7,7-hexamethyl-1,5-diazonane
CID 167025577
(1R,5R)-3,5,8,8-tetramethyl-3-azabicyclo[3.2.1]octan-1-amine
CID 58477084
(3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 170409631
6-methyl-1,6-diazaspiro[2.4]heptane
CID 148820818
1,3a,7a-trimethyl-2,3,4,5,6,7-hexahydroindole
CID 118670956

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of (3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole (CID 145242260) is (3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for (3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for (3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole is CN1C[C@@]2(C)CCN(S)[C@@]2(C)C1.
What is the InChIKey of (3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole?
The InChIKey is KFZYFJZCSLOBPJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18N2S/c1-8-4-5-11(12)9(8,2)7-10(3)6-8/h12H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole?
(3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole has a molecular weight of 186.32 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 145242260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).