1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide

C9H18N2O4S2 — CID 79686071

IUPAC1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)N[C@@H]2CCNC2)CC1
InChIInChI=1S/C9H18N2O4S2/c12-16(13)5-2-9(3-6-16)17(14,15)11-8-1-4-10-7-8/h8-11H,1-7H2/t8-/m1/s1
InChIKeyUSRBZAXMQYWUFI-MRVPVSSYSA-N
MW282.39 g/mol
LogP-1.16
Rot. Bonds3

About 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide

1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide (PubChem CID 79686071) has the molecular formula C9H18N2O4S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide
PubChem CID79686071
Molecular FormulaC9H18N2O4S2
Molecular Weight282.39 g/mol
Exact Mass282.07
IUPAC Name1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)N[C@@H]2CCNC2)CC1
InChIInChI=1S/C9H18N2O4S2/c12-16(13)5-2-9(3-6-16)17(14,15)11-8-1-4-10-7-8/h8-11H,1-7H2/t8-/m1/s1
InChIKeyUSRBZAXMQYWUFI-MRVPVSSYSA-N
XLogP-1.16
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiolane-3-sulfonamide
CID 79685893
N-(4-chlorocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 65033187
N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide
CID 104826101
N-piperidin-4-ylcyclopentanesulfonamide
CID 115752108
N-(azepan-4-yl)cyclopentanesulfonamide
CID 107172836
1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
CID 79685509
N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 79684935
(3R)-3-(dimethylsulfamoylamino)pyrrolidine
CID 79685211
propane;N-pyrrolidin-3-ylmethanesulfonamide
CID 143474568
N-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 62083890
N-(2-aminocyclopentyl)-1,1-dioxothiane-4-sulfonamide
CID 63252300
N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide
CID 80661845

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide?
The IUPAC name of 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide (CID 79686071) is 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide is O=S1(=O)CCC(S(=O)(=O)N[C@@H]2CCNC2)CC1.
What is the InChIKey of 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide?
The InChIKey is USRBZAXMQYWUFI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O4S2/c12-16(13)5-2-9(3-6-16)17(14,15)11-8-1-4-10-7-8/h8-11H,1-7H2/t8-/m1/s1.
What are the key properties of 1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide?
1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide has a molecular weight of 282.39 g/mol, XLogP of -1.16, 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]thiane-4-sulfonamide is sourced from PubChem (CID 79686071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).