1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide

C9H18N2O4S2 — CID 62540052

IUPAC1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCC2CCCN2)C1
InChIInChI=1S/C9H18N2O4S2/c12-16(13)5-3-9(7-16)17(14,15)11-6-8-2-1-4-10-8/h8-11H,1-7H2
InChIKeyHVTGLRZZWYEHNO-UHFFFAOYSA-N
MW282.39 g/mol
LogP-1.16
Rot. Bonds4

About 1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide

1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide (PubChem CID 62540052) has the molecular formula C9H18N2O4S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide
PubChem CID62540052
Molecular FormulaC9H18N2O4S2
Molecular Weight282.39 g/mol
Exact Mass282.07
IUPAC Name1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCC2CCCN2)C1
InChIInChI=1S/C9H18N2O4S2/c12-16(13)5-3-9(7-16)17(14,15)11-6-8-2-1-4-10-8/h8-11H,1-7H2
InChIKeyHVTGLRZZWYEHNO-UHFFFAOYSA-N
XLogP-1.16
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 ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(pyrrolidin-2-ylmethyl)cyclopentanesulfonamide
CID 115752325
1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide
CID 104972737
N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 64913898
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 7068858
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118
N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65113372
1,1-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)thiolane-3-sulfonamide
CID 54883587
1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide
CID 61284724
(3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 99976094
1-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 121497367
N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
CID 83058487

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide?
The IUPAC name of 1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide (CID 62540052) is 1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)NCC2CCCN2)C1.
What is the InChIKey of 1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide?
The InChIKey is HVTGLRZZWYEHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S2/c12-16(13)5-3-9(7-16)17(14,15)11-6-8-2-1-4-10-8/h8-11H,1-7H2.
What are the key properties of 1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide?
1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide has a molecular weight of 282.39 g/mol, XLogP of -1.16, 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-2-ylmethyl)thiolane-3-sulfonamide is sourced from PubChem (CID 62540052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).