(3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine

C6H12N2O2S — CID 139599497

IUPAC(3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine
SMILESN[C@H]1CS(=O)(=O)[C@@H]2CNC[C@@H]21
InChIInChI=1S/C6H12N2O2S/c7-5-3-11(9,10)6-2-8-1-4(5)6/h4-6,8H,1-3,7H2/t4-,5+,6-/m1/s1
InChIKeyRZCIJKDRYGUSIQ-NGJCXOISSA-N
MW176.24 g/mol
LogP-1.67
Rot. Bonds

About (3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine

(3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine (PubChem CID 139599497) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is (3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine.

Molecular Properties

Compound Name(3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine
PubChem CID139599497
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Name(3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine
SMILESN[C@H]1CS(=O)(=O)[C@@H]2CNC[C@@H]21
InChIInChI=1S/C6H12N2O2S/c7-5-3-11(9,10)6-2-8-1-4(5)6/h4-6,8H,1-3,7H2/t4-,5+,6-/m1/s1
InChIKeyRZCIJKDRYGUSIQ-NGJCXOISSA-N
XLogP-1.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine with MolForge

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Related Compounds

(1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine
CID 131858389
(3S,4R)-1,1-dioxothiane-3,4-diamine
CID 124661417
(2R)-2-cyclopropyl-1,4-thiazinane 1,1-dioxide
CID 124680559
2-chloro-1,1-dioxothiolan-3-amine
CID 142757877
3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate
CID 140536555
4-aminopyrrolidine-3-carbaldehyde
CID 74829651
9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
CID 167727317
(3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
CID 171916366
(3R,4R)-4-aminopyrrolidin-3-ol
CID 10725920
2-cyclopentyl-1,4-thiazinane 1,1-dioxide
CID 173061390
6-iodo-3-azabicyclo[3.1.0]hexane
CID 130360842
3-(azetidin-3-yl)-1,4-oxathiane 4,4-dioxide
CID 177117219

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine?
The IUPAC name of (3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine (CID 139599497) is (3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine.
What is the SMILES notation for (3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine?
The canonical SMILES for (3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine is N[C@H]1CS(=O)(=O)[C@@H]2CNC[C@@H]21.
What is the InChIKey of (3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine?
The InChIKey is RZCIJKDRYGUSIQ-NGJCXOISSA-N. The full InChI is InChI=1S/C6H12N2O2S/c7-5-3-11(9,10)6-2-8-1-4(5)6/h4-6,8H,1-3,7H2/t4-,5+,6-/m1/s1.
What are the key properties of (3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine?
(3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine has a molecular weight of 176.24 g/mol, XLogP of -1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6aS)-1,1-dioxo-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine is sourced from PubChem (CID 139599497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).