2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine

C8H17N3O2S — CID 129498202

IUPAC2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine
SMILESNCCN1C[C@H]2CCCCN2S1(=O)=O
InChIInChI=1S/C8H17N3O2S/c9-4-6-10-7-8-3-1-2-5-11(8)14(10,12)13/h8H,1-7,9H2/t8-/m1/s1
InChIKeyDHBJSDSEGMGHEZ-MRVPVSSYSA-N
MW219.31 g/mol
LogP-0.64
Rot. Bonds2

About 2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine

2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine (PubChem CID 129498202) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine
PubChem CID129498202
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine
SMILESNCCN1C[C@H]2CCCCN2S1(=O)=O
InChIInChI=1S/C8H17N3O2S/c9-4-6-10-7-8-3-1-2-5-11(8)14(10,12)13/h8H,1-7,9H2/t8-/m1/s1
InChIKeyDHBJSDSEGMGHEZ-MRVPVSSYSA-N
XLogP-0.64
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine with MolForge

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Related Compounds

2-[(3aS)-1,1-dioxo-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b][1,2,5]thiadiazol-2-yl]ethanol
CID 129497638
2-cyclopentyl-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 117026527
2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 84814080
2-cyclopropyl-6-methyl-1,2,6-thiadiazinane 1,1-dioxide
CID 117026594
(3aR)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide
CID 23255920
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083
1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one
CID 105440757
2-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)ethanamine
CID 84771614
N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
CID 79932436
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 79925293
2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine
CID 117044503
2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 130820559

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine?
The IUPAC name of 2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine (CID 129498202) is 2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine.
What is the SMILES notation for 2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine?
The canonical SMILES for 2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine is NCCN1C[C@H]2CCCCN2S1(=O)=O.
What is the InChIKey of 2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine?
The InChIKey is DHBJSDSEGMGHEZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c9-4-6-10-7-8-3-1-2-5-11(8)14(10,12)13/h8H,1-7,9H2/t8-/m1/s1.
What are the key properties of 2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine?
2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine has a molecular weight of 219.31 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR)-1,1-dioxo-3,3a,4,5,6,7-hexahydro-[1,2,5]thiadiazolo[2,3-a]pyridin-2-yl]ethanamine is sourced from PubChem (CID 129498202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).