2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide

C13H25N3O5S2 — CID 75439146

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide
SMILESCCCCC(C(=O)NS(=O)(=O)N1CCCC1)N1CCCS1(=O)=O
InChIInChI=1S/C13H25N3O5S2/c1-2-3-7-12(16-10-6-11-22(16,18)19)13(17)14-23(20,21)15-8-4-5-9-15/h12H,2-11H2,1H3,(H,14,17)
InChIKeyPOAMDAGGQIHXFH-UHFFFAOYSA-N
MW367.49 g/mol
LogP0.04
Rot. Bonds7

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide (PubChem CID 75439146) has the molecular formula C13H25N3O5S2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide
PubChem CID75439146
Molecular FormulaC13H25N3O5S2
Molecular Weight367.49 g/mol
Exact Mass367.12
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide
SMILESCCCCC(C(=O)NS(=O)(=O)N1CCCC1)N1CCCS1(=O)=O
InChIInChI=1S/C13H25N3O5S2/c1-2-3-7-12(16-10-6-11-22(16,18)19)13(17)14-23(20,21)15-8-4-5-9-15/h12H,2-11H2,1H3,(H,14,17)
InChIKeyPOAMDAGGQIHXFH-UHFFFAOYSA-N
XLogP0.04
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide
CID 97098246
2-(1,1-dioxothiazinan-2-yl)pentanoic acid
CID 116814416
[1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea
CID 97098226
(2S)-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide
CID 97098249
N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide
CID 159894049
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methoxy-5-oxopentanoic acid
CID 82787016
2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide
CID 61122723
N-piperidin-1-ylsulfonylacetamide
CID 59405916
(3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide
CID 94201534
6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid
CID 65285270
diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate
CID 43431744
methyl 2-(4-methylpiperazin-1-yl)hexanoate
CID 115608220

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide (CID 75439146) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide is CCCCC(C(=O)NS(=O)(=O)N1CCCC1)N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide?
The InChIKey is POAMDAGGQIHXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O5S2/c1-2-3-7-12(16-10-6-11-22(16,18)19)13(17)14-23(20,21)15-8-4-5-9-15/h12H,2-11H2,1H3,(H,14,17).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide has a molecular weight of 367.49 g/mol, XLogP of 0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide is sourced from PubChem (CID 75439146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).