1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide

C11H22N2O4S2 — CID 104972737

IUPAC1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCC[C@@H]2CCCN2)CC1
InChIInChI=1S/C11H22N2O4S2/c14-18(15)8-4-11(5-9-18)19(16,17)13-7-3-10-2-1-6-12-10/h10-13H,1-9H2/t10-/m0/s1
InChIKeySRVXIPRZPBPPBW-JTQLQIEISA-N
MW310.44 g/mol
LogP-0.37
Rot. Bonds5

About 1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide

1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide (PubChem CID 104972737) has the molecular formula C11H22N2O4S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide
PubChem CID104972737
Molecular FormulaC11H22N2O4S2
Molecular Weight310.44 g/mol
Exact Mass310.10
IUPAC Name1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCC[C@@H]2CCCN2)CC1
InChIInChI=1S/C11H22N2O4S2/c14-18(15)8-4-11(5-9-18)19(16,17)13-7-3-10-2-1-6-12-10/h10-13H,1-9H2/t10-/m0/s1
InChIKeySRVXIPRZPBPPBW-JTQLQIEISA-N
XLogP-0.37
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide
CID 104972699
1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide
CID 62540052
(2S)-2-[2-(sulfamoylamino)ethyl]pyrrolidine
CID 104985745
N-(2-bromoethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084947
N-(pyrrolidin-2-ylmethyl)cyclopentanesulfonamide
CID 115752325
2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propan-2-amine
CID 104978184
2-[2-(diethylsulfamoylamino)ethyl]pyrrolidine
CID 114794250
2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid
CID 114794124
1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972512
N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide
CID 114794249
N-ethyl-1,1-dioxothiane-4-sulfonamide
CID 62086014
N-(6-chlorohexyl)-1,1-dioxothiane-4-sulfonamide
CID 107849074

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide?
The IUPAC name of 1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide (CID 104972737) is 1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide is O=S1(=O)CCC(S(=O)(=O)NCC[C@@H]2CCCN2)CC1.
What is the InChIKey of 1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide?
The InChIKey is SRVXIPRZPBPPBW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O4S2/c14-18(15)8-4-11(5-9-18)19(16,17)13-7-3-10-2-1-6-12-10/h10-13H,1-9H2/t10-/m0/s1.
What are the key properties of 1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide?
1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide is sourced from PubChem (CID 104972737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).