[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone

C14H20N4O3S — CID 120809485

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone
SMILESCC1(CN)CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1
InChIInChI=1S/C14H20N4O3S/c1-14(9-15)4-6-18(10-14)13(19)11-3-2-5-17-7-8-22(20,21)16-12(11)17/h2-3,5H,4,6-10,15H2,1H3
InChIKeyJYVJWVREAPGEPV-UHFFFAOYSA-N
MW324.41 g/mol
LogP-0.32
Rot. Bonds2

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone (PubChem CID 120809485) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone
PubChem CID120809485
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone
SMILESCC1(CN)CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1
InChIInChI=1S/C14H20N4O3S/c1-14(9-15)4-6-18(10-14)13(19)11-3-2-5-17-7-8-22(20,21)16-12(11)17/h2-3,5H,4,6-10,15H2,1H3
InChIKeyJYVJWVREAPGEPV-UHFFFAOYSA-N
XLogP-0.32
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone (CID 120809485) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone is CC1(CN)CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone?
The InChIKey is JYVJWVREAPGEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-14(9-15)4-6-18(10-14)13(19)11-3-2-5-17-7-8-22(20,21)16-12(11)17/h2-3,5H,4,6-10,15H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone has a molecular weight of 324.41 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone is sourced from PubChem (CID 120809485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).