3-methyl-1,1-dioxo-N-[1-(1-propylpiperidin-3-yl)ethyl]thiolan-3-amine

C15H30N2O2S — CID 43679719

IUPAC3-methyl-1,1-dioxo-N-[1-(1-propylpiperidin-3-yl)ethyl]thiolan-3-amine
SMILESCCCN1CCCC(C(C)NC2(C)CCS(=O)(=O)C2)C1
InChIInChI=1S/C15H30N2O2S/c1-4-8-17-9-5-6-14(11-17)13(2)16-15(3)7-10-20(18,19)12-15/h13-14,16H,4-12H2,1-3H3
InChIKeyFFJJOPRGHPRDIM-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.66
Rot. Bonds5

About 3-methyl-1,1-dioxo-N-[1-(1-propylpiperidin-3-yl)ethyl]thiolan-3-amine

3-methyl-1,1-dioxo-N-[1-(1-propylpiperidin-3-yl)ethyl]thiolan-3-amine (PubChem CID 43679719) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 3-methyl-1,1-dioxo-N-[1-(1-propylpiperidin-3-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound Name3-methyl-1,1-dioxo-N-[1-(1-propylpiperidin-3-yl)ethyl]thiolan-3-amine
PubChem CID43679719
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name3-methyl-1,1-dioxo-N-[1-(1-propylpiperidin-3-yl)ethyl]thiolan-3-amine
SMILESCCCN1CCCC(C(C)NC2(C)CCS(=O)(=O)C2)C1
InChIInChI=1S/C15H30N2O2S/c1-4-8-17-9-5-6-14(11-17)13(2)16-15(3)7-10-20(18,19)12-15/h13-14,16H,4-12H2,1-3H3
InChIKeyFFJJOPRGHPRDIM-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-dioxo-N-[1-(1-propylpiperidin-3-yl)ethyl]thiolan-3-amine?
The IUPAC name of 3-methyl-1,1-dioxo-N-[1-(1-propylpiperidin-3-yl)ethyl]thiolan-3-amine (CID 43679719) is 3-methyl-1,1-dioxo-N-[1-(1-propylpiperidin-3-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for 3-methyl-1,1-dioxo-N-[1-(1-propylpiperidin-3-yl)ethyl]thiolan-3-amine?
The canonical SMILES for 3-methyl-1,1-dioxo-N-[1-(1-propylpiperidin-3-yl)ethyl]thiolan-3-amine is CCCN1CCCC(C(C)NC2(C)CCS(=O)(=O)C2)C1.
What is the InChIKey of 3-methyl-1,1-dioxo-N-[1-(1-propylpiperidin-3-yl)ethyl]thiolan-3-amine?
The InChIKey is FFJJOPRGHPRDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-4-8-17-9-5-6-14(11-17)13(2)16-15(3)7-10-20(18,19)12-15/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 3-methyl-1,1-dioxo-N-[1-(1-propylpiperidin-3-yl)ethyl]thiolan-3-amine?
3-methyl-1,1-dioxo-N-[1-(1-propylpiperidin-3-yl)ethyl]thiolan-3-amine has a molecular weight of 302.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-dioxo-N-[1-(1-propylpiperidin-3-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 43679719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).