1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide

C9H18N2O4S2 — CID 80563167

IUPAC1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCC2CCNC2)C1
InChIInChI=1S/C9H18N2O4S2/c12-16(13)4-2-9(7-16)17(14,15)11-6-8-1-3-10-5-8/h8-11H,1-7H2
InChIKeyJVFRBMDEZPUICD-UHFFFAOYSA-N
MW282.39 g/mol
LogP-1.30
Rot. Bonds4

About 1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide

1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide (PubChem CID 80563167) has the molecular formula C9H18N2O4S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide
PubChem CID80563167
Molecular FormulaC9H18N2O4S2
Molecular Weight282.39 g/mol
Exact Mass282.07
IUPAC Name1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCC2CCNC2)C1
InChIInChI=1S/C9H18N2O4S2/c12-16(13)4-2-9(7-16)17(14,15)11-6-8-1-3-10-5-8/h8-11H,1-7H2
InChIKeyJVFRBMDEZPUICD-UHFFFAOYSA-N
XLogP-1.30
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide?
The IUPAC name of 1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide (CID 80563167) is 1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)NCC2CCNC2)C1.
What is the InChIKey of 1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide?
The InChIKey is JVFRBMDEZPUICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S2/c12-16(13)4-2-9(7-16)17(14,15)11-6-8-1-3-10-5-8/h8-11H,1-7H2.
What are the key properties of 1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide?
1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide has a molecular weight of 282.39 g/mol, XLogP of -1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide is sourced from PubChem (CID 80563167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).