1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane

C5H12N2O4S2 — CID 86706430

IUPAC1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane
SMILESNS(=O)(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C5H12N2O4S2/c6-13(10,11)7-3-5-1-2-12(8,9)4-5/h5,7H,1-4H2,(H2,6,10,11)
InChIKeyMAJZIADXPBFMQN-UHFFFAOYSA-N
MW228.29 g/mol
LogP-1.79
Rot. Bonds3

About 1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane

1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane (PubChem CID 86706430) has the molecular formula C5H12N2O4S2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane.

Molecular Properties

Compound Name1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane
PubChem CID86706430
Molecular FormulaC5H12N2O4S2
Molecular Weight228.29 g/mol
Exact Mass228.02
IUPAC Name1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane
SMILESNS(=O)(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C5H12N2O4S2/c6-13(10,11)7-3-5-1-2-12(8,9)4-5/h5,7H,1-4H2,(H2,6,10,11)
InChIKeyMAJZIADXPBFMQN-UHFFFAOYSA-N
XLogP-1.79
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid
CID 61057638
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]propane-1-sulfonamide
CID 61057903
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide
CID 62131099
2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide
CID 106016789
5-amino-2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 61125691
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 95144968
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 61127648
(2S)-2-amino-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
CID 51892168
1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide
CID 110722896
N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692339
N-[(1,1-dioxothiolan-3-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 62133818

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane?
The IUPAC name of 1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane (CID 86706430) is 1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane.
What is the SMILES notation for 1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane?
The canonical SMILES for 1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane is NS(=O)(=O)NCC1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane?
The InChIKey is MAJZIADXPBFMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4S2/c6-13(10,11)7-3-5-1-2-12(8,9)4-5/h5,7H,1-4H2,(H2,6,10,11).
What are the key properties of 1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane?
1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane has a molecular weight of 228.29 g/mol, XLogP of -1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane is sourced from PubChem (CID 86706430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).