N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide

C7H16N2O4S2 — CID 62659118

IUPACN-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
SMILESCNCCNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H16N2O4S2/c1-8-3-4-9-15(12,13)7-2-5-14(10,11)6-7/h7-9H,2-6H2,1H3
InChIKeyWEUDJLGWIUYFHR-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.69
Rot. Bonds5

About N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide

N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide (PubChem CID 62659118) has the molecular formula C7H16N2O4S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
PubChem CID62659118
Molecular FormulaC7H16N2O4S2
Molecular Weight256.35 g/mol
Exact Mass256.06
IUPAC NameN-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
SMILESCNCCNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H16N2O4S2/c1-8-3-4-9-15(12,13)7-2-5-14(10,11)6-7/h7-9H,2-6H2,1H3
InChIKeyWEUDJLGWIUYFHR-UHFFFAOYSA-N
XLogP-1.69
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827633
N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 113430482
N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
CID 83058487
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate
CID 43624219
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 114006725
(3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 99976094
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
N-(2-bromoethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084947
N-[2-[2-[[(3R)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide
CID 99977036
N-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide
CID 99977037
3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173824
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65121394

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide (CID 62659118) is N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide is CNCCNS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is WEUDJLGWIUYFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S2/c1-8-3-4-9-15(12,13)7-2-5-14(10,11)6-7/h7-9H,2-6H2,1H3.
What are the key properties of N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide?
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 256.35 g/mol, XLogP of -1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 62659118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).