1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide

C8H16N2O4S2 — CID 79685893

IUPAC1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)N[C@@H]2CCNC2)C1
InChIInChI=1S/C8H16N2O4S2/c11-15(12)4-2-8(6-15)16(13,14)10-7-1-3-9-5-7/h7-10H,1-6H2/t7-,8?/m1/s1
InChIKeyAIZYVFNSWXIFFL-GVHYBUMESA-N
MW268.36 g/mol
LogP-1.55
Rot. Bonds3

About 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide

1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide (PubChem CID 79685893) has the molecular formula C8H16N2O4S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide
PubChem CID79685893
Molecular FormulaC8H16N2O4S2
Molecular Weight268.36 g/mol
Exact Mass268.06
IUPAC Name1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)N[C@@H]2CCNC2)C1
InChIInChI=1S/C8H16N2O4S2/c11-15(12)4-2-8(6-15)16(13,14)10-7-1-3-9-5-7/h7-10H,1-6H2/t7-,8?/m1/s1
InChIKeyAIZYVFNSWXIFFL-GVHYBUMESA-N
XLogP-1.55
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide
CID 79686071
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60807922
3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide
CID 62672783
N-(2-aminocyclopentyl)-1,1-dioxothiolane-3-sulfonamide
CID 63251989
N-piperidin-4-ylcyclopentanesulfonamide
CID 115752108
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide
CID 62378969
1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
CID 79685509
N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 79684935
N-(4-chlorocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 65033187
1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide
CID 62540052
N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide
CID 104826101

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide?
The IUPAC name of 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide (CID 79685893) is 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)N[C@@H]2CCNC2)C1.
What is the InChIKey of 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide?
The InChIKey is AIZYVFNSWXIFFL-GVHYBUMESA-N. The full InChI is InChI=1S/C8H16N2O4S2/c11-15(12)4-2-8(6-15)16(13,14)10-7-1-3-9-5-7/h7-10H,1-6H2/t7-,8?/m1/s1.
What are the key properties of 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide?
1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide has a molecular weight of 268.36 g/mol, XLogP of -1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide is sourced from PubChem (CID 79685893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).