2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide

C7H16N2O4S2 — CID 114385112

IUPAC2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide
SMILESNS(=O)(=O)CCNCC1CCCS1(=O)=O
InChIInChI=1S/C7H16N2O4S2/c8-15(12,13)5-3-9-6-7-2-1-4-14(7,10)11/h7,9H,1-6H2,(H2,8,12,13)
InChIKeyNCRXSVFPYVTHBQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.56
Rot. Bonds5

About 2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide

2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide (PubChem CID 114385112) has the molecular formula C7H16N2O4S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide
PubChem CID114385112
Molecular FormulaC7H16N2O4S2
Molecular Weight256.35 g/mol
Exact Mass256.06
IUPAC Name2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide
SMILESNS(=O)(=O)CCNCC1CCCS1(=O)=O
InChIInChI=1S/C7H16N2O4S2/c8-15(12,13)5-3-9-6-7-2-1-4-14(7,10)11/h7,9H,1-6H2,(H2,8,12,13)
InChIKeyNCRXSVFPYVTHBQ-UHFFFAOYSA-N
XLogP-1.56
TPSA106.33 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 ≤ 5-1.56
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-[(1,1-dioxothiolan-2-yl)methyl]pentan-1-amine
CID 81039195
N-[(1,1-dioxothiolan-2-yl)methyl]-2-propoxyethanamine
CID 106452257
N-[(1,1-dioxothiolan-2-yl)methyl]ethanamine
CID 81039627
N-[(1,1-dioxothian-2-yl)methyl]propan-1-amine
CID 104519114
N-[(1,1-dioxothiolan-2-yl)methyl]prop-2-en-1-amine
CID 81039342
N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-diethylbutan-1-amine
CID 75453132
N-[(2-bromophenyl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine
CID 81041699
2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide
CID 106636953
N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine
CID 97053070
3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid
CID 81039371
2-[(1,1-dioxothian-3-yl)amino]ethanesulfonamide
CID 63911062
2-(piperidin-2-ylmethylamino)ethanesulfonamide
CID 106633143

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide?
The IUPAC name of 2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide (CID 114385112) is 2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide is NS(=O)(=O)CCNCC1CCCS1(=O)=O.
What is the InChIKey of 2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide?
The InChIKey is NCRXSVFPYVTHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S2/c8-15(12,13)5-3-9-6-7-2-1-4-14(7,10)11/h7,9H,1-6H2,(H2,8,12,13).
What are the key properties of 2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide?
2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide has a molecular weight of 256.35 g/mol, XLogP of -1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide is sourced from PubChem (CID 114385112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).