1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine

C10H20N2O4S2 — CID 79994454

IUPAC1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(S(=O)(=O)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H20N2O4S2/c1-8-4-9(11)6-12(5-8)18(15,16)10-2-3-17(13,14)7-10/h8-10H,2-7,11H2,1H3
InChIKeyIJJSGYZHSKIDBA-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.83
Rot. Bonds2

About 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine

1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine (PubChem CID 79994454) has the molecular formula C10H20N2O4S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine
PubChem CID79994454
Molecular FormulaC10H20N2O4S2
Molecular Weight296.41 g/mol
Exact Mass296.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(S(=O)(=O)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H20N2O4S2/c1-8-4-9(11)6-12(5-8)18(15,16)10-2-3-17(13,14)7-10/h8-10H,2-7,11H2,1H3
InChIKeyIJJSGYZHSKIDBA-UHFFFAOYSA-N
XLogP-0.83
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine (CID 79994454) is 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine is CC1CC(N)CN(S(=O)(=O)C2CCS(=O)(=O)C2)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine?
The InChIKey is IJJSGYZHSKIDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S2/c1-8-4-9(11)6-12(5-8)18(15,16)10-2-3-17(13,14)7-10/h8-10H,2-7,11H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine?
1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine has a molecular weight of 296.41 g/mol, XLogP of -0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine is sourced from PubChem (CID 79994454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).