3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine

C13H21N3O2S — CID 117151466

IUPAC3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
SMILESNC1CCn2c(cnc2CC2CCCS(=O)(=O)C2)C1
InChIInChI=1S/C13H21N3O2S/c14-11-3-4-16-12(7-11)8-15-13(16)6-10-2-1-5-19(17,18)9-10/h8,10-11H,1-7,9,14H2
InChIKeySPUVYVFXNRZGKH-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.52
Rot. Bonds2

About 3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine

3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine (PubChem CID 117151466) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
PubChem CID117151466
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
SMILESNC1CCn2c(cnc2CC2CCCS(=O)(=O)C2)C1
InChIInChI=1S/C13H21N3O2S/c14-11-3-4-16-12(7-11)8-15-13(16)6-10-2-1-5-19(17,18)9-10/h8,10-11H,1-7,9,14H2
InChIKeySPUVYVFXNRZGKH-UHFFFAOYSA-N
XLogP0.52
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine with MolForge

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Related Compounds

3-(pyrrolidin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 117151206
3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine;hydrochloride
CID 105454034
3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 117151438
4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)thiane 1,1-dioxide
CID 117148390
2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
CID 117151384
[3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149495
3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117147829
3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117150721
3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol
CID 117144291
3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 117148392
3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117151426
3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine
CID 117146321

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine?
The IUPAC name of 3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine (CID 117151466) is 3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine?
The canonical SMILES for 3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine is NC1CCn2c(cnc2CC2CCCS(=O)(=O)C2)C1.
What is the InChIKey of 3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine?
The InChIKey is SPUVYVFXNRZGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c14-11-3-4-16-12(7-11)8-15-13(16)6-10-2-1-5-19(17,18)9-10/h8,10-11H,1-7,9,14H2.
What are the key properties of 3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine?
3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine has a molecular weight of 283.40 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 117151466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).