(3R)-1,1-dioxo-N-(sulfanylidenemethylidene)thiolane-3-sulfonamide

C5H7NO4S3 — CID 42445842

IUPAC(3R)-1,1-dioxo-N-(sulfanylidenemethylidene)thiolane-3-sulfonamide
SMILESO=S1(=O)CC[C@@H](S(=O)(=O)N=C=S)C1
InChIInChI=1S/C5H7NO4S3/c7-12(8)2-1-5(3-12)13(9,10)6-4-11/h5H,1-3H2/t5-/m1/s1
InChIKeyYVJNHMUQYQTBNC-RXMQYKEDSA-N
MW241.31 g/mol
LogP-0.39
Rot. Bonds2

About (3R)-1,1-dioxo-N-(sulfanylidenemethylidene)thiolane-3-sulfonamide

(3R)-1,1-dioxo-N-(sulfanylidenemethylidene)thiolane-3-sulfonamide (PubChem CID 42445842) has the molecular formula C5H7NO4S3 and a molecular weight of 241.31 g/mol. Its IUPAC name is (3R)-1,1-dioxo-N-(sulfanylidenemethylidene)thiolane-3-sulfonamide.

Molecular Properties

Compound Name(3R)-1,1-dioxo-N-(sulfanylidenemethylidene)thiolane-3-sulfonamide
PubChem CID42445842
Molecular FormulaC5H7NO4S3
Molecular Weight241.31 g/mol
Exact Mass240.95
IUPAC Name(3R)-1,1-dioxo-N-(sulfanylidenemethylidene)thiolane-3-sulfonamide
SMILESO=S1(=O)CC[C@@H](S(=O)(=O)N=C=S)C1
InChIInChI=1S/C5H7NO4S3/c7-12(8)2-1-5(3-12)13(9,10)6-4-11/h5H,1-3H2/t5-/m1/s1
InChIKeyYVJNHMUQYQTBNC-RXMQYKEDSA-N
XLogP-0.39
TPSA80.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (3R)-1,1-dioxo-N-(sulfanylidenemethylidene)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

(3S)-1,1-dioxothiolane-3-sulfonate
CID 7088081
3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide
CID 62672783
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
3-(1,1-dioxothiolan-3-yl)sulfonylbutanoic acid
CID 66116145
1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide
CID 82715812
2-(1,1-dioxothiolan-3-yl)ethynesulfonyl chloride
CID 117265216
2-(1,1-dioxothiolan-3-yl)sulfonylpropanoic acid
CID 61057238
2-(1,1-dioxothiolan-3-yl)sulfonyl-2-methylpropanoic acid
CID 81227757
N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65113372
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118
2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid
CID 65444128
N-(2-aminocyclopentyl)-1,1-dioxothiolane-3-sulfonamide
CID 63251989

Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-dioxo-N-(sulfanylidenemethylidene)thiolane-3-sulfonamide?
The IUPAC name of (3R)-1,1-dioxo-N-(sulfanylidenemethylidene)thiolane-3-sulfonamide (CID 42445842) is (3R)-1,1-dioxo-N-(sulfanylidenemethylidene)thiolane-3-sulfonamide.
What is the SMILES notation for (3R)-1,1-dioxo-N-(sulfanylidenemethylidene)thiolane-3-sulfonamide?
The canonical SMILES for (3R)-1,1-dioxo-N-(sulfanylidenemethylidene)thiolane-3-sulfonamide is O=S1(=O)CC[C@@H](S(=O)(=O)N=C=S)C1.
What is the InChIKey of (3R)-1,1-dioxo-N-(sulfanylidenemethylidene)thiolane-3-sulfonamide?
The InChIKey is YVJNHMUQYQTBNC-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H7NO4S3/c7-12(8)2-1-5(3-12)13(9,10)6-4-11/h5H,1-3H2/t5-/m1/s1.
What are the key properties of (3R)-1,1-dioxo-N-(sulfanylidenemethylidene)thiolane-3-sulfonamide?
(3R)-1,1-dioxo-N-(sulfanylidenemethylidene)thiolane-3-sulfonamide has a molecular weight of 241.31 g/mol, XLogP of -0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-dioxo-N-(sulfanylidenemethylidene)thiolane-3-sulfonamide is sourced from PubChem (CID 42445842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).