N-(1,1-dioxothian-4-yl)-1-ethylsulfonylpiperidin-4-amine

C12H24N2O4S2 — CID 43511696

IUPACN-(1,1-dioxothian-4-yl)-1-ethylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C12H24N2O4S2/c1-2-20(17,18)14-7-3-11(4-8-14)13-12-5-9-19(15,16)10-6-12/h11-13H,2-10H2,1H3
InChIKeyMKAFHZYDMJSLBL-UHFFFAOYSA-N
MW324.47 g/mol
LogP-0.03
Rot. Bonds4

About N-(1,1-dioxothian-4-yl)-1-ethylsulfonylpiperidin-4-amine

N-(1,1-dioxothian-4-yl)-1-ethylsulfonylpiperidin-4-amine (PubChem CID 43511696) has the molecular formula C12H24N2O4S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-1-ethylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-1-ethylsulfonylpiperidin-4-amine
PubChem CID43511696
Molecular FormulaC12H24N2O4S2
Molecular Weight324.47 g/mol
Exact Mass324.12
IUPAC NameN-(1,1-dioxothian-4-yl)-1-ethylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C12H24N2O4S2/c1-2-20(17,18)14-7-3-11(4-8-14)13-12-5-9-19(15,16)10-6-12/h11-13H,2-10H2,1H3
InChIKeyMKAFHZYDMJSLBL-UHFFFAOYSA-N
XLogP-0.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-1-ethylsulfonylpiperidin-4-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-1-ethylsulfonylpiperidin-4-amine (CID 43511696) is N-(1,1-dioxothian-4-yl)-1-ethylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-1-ethylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-1-ethylsulfonylpiperidin-4-amine is CCS(=O)(=O)N1CCC(NC2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-1-ethylsulfonylpiperidin-4-amine?
The InChIKey is MKAFHZYDMJSLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S2/c1-2-20(17,18)14-7-3-11(4-8-14)13-12-5-9-19(15,16)10-6-12/h11-13H,2-10H2,1H3.
What are the key properties of N-(1,1-dioxothian-4-yl)-1-ethylsulfonylpiperidin-4-amine?
N-(1,1-dioxothian-4-yl)-1-ethylsulfonylpiperidin-4-amine has a molecular weight of 324.47 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-1-ethylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43511696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).