N-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine

C9H16N2O2S — CID 79507993

IUPACN-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESO=S1(=O)CCC(NC2=NCCCC2)C1
InChIInChI=1S/C9H16N2O2S/c12-14(13)6-4-8(7-14)11-9-3-1-2-5-10-9/h8H,1-7H2,(H,10,11)
InChIKeyASINZPIZYHOCRP-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.35
Rot. Bonds1

About N-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine

N-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79507993) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79507993
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESO=S1(=O)CCC(NC2=NCCCC2)C1
InChIInChI=1S/C9H16N2O2S/c12-14(13)6-4-8(7-14)11-9-3-1-2-5-10-9/h8H,1-7H2,(H,10,11)
InChIKeyASINZPIZYHOCRP-UHFFFAOYSA-N
XLogP0.35
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine (CID 79507993) is N-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine is O=S1(=O)CCC(NC2=NCCCC2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is ASINZPIZYHOCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c12-14(13)6-4-8(7-14)11-9-3-1-2-5-10-9/h8H,1-7H2,(H,10,11).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 216.31 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79507993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).