1-(methylamino)-2-(sulfamoylamino)ethane

C3H11N3O2S — CID 59215711

IUPAC1-(methylamino)-2-(sulfamoylamino)ethane
SMILESCNCCNS(N)(=O)=O
InChIInChI=1S/C3H11N3O2S/c1-5-2-3-6-9(4,7)8/h5-6H,2-3H2,1H3,(H2,4,7,8)
InChIKeyMLJRZGSRJXBQMW-UHFFFAOYSA-N
MW153.21 g/mol
LogP-2.00
Rot. Bonds4

About 1-(methylamino)-2-(sulfamoylamino)ethane

1-(methylamino)-2-(sulfamoylamino)ethane (PubChem CID 59215711) has the molecular formula C3H11N3O2S and a molecular weight of 153.21 g/mol. Its IUPAC name is 1-(methylamino)-2-(sulfamoylamino)ethane.

Molecular Properties

Compound Name1-(methylamino)-2-(sulfamoylamino)ethane
PubChem CID59215711
Molecular FormulaC3H11N3O2S
Molecular Weight153.21 g/mol
Exact Mass153.06
IUPAC Name1-(methylamino)-2-(sulfamoylamino)ethane
SMILESCNCCNS(N)(=O)=O
InChIInChI=1S/C3H11N3O2S/c1-5-2-3-6-9(4,7)8/h5-6H,2-3H2,1H3,(H2,4,7,8)
InChIKeyMLJRZGSRJXBQMW-UHFFFAOYSA-N
XLogP-2.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-(sulfamoylamino)ethane?
The IUPAC name of 1-(methylamino)-2-(sulfamoylamino)ethane (CID 59215711) is 1-(methylamino)-2-(sulfamoylamino)ethane.
What is the SMILES notation for 1-(methylamino)-2-(sulfamoylamino)ethane?
The canonical SMILES for 1-(methylamino)-2-(sulfamoylamino)ethane is CNCCNS(N)(=O)=O.
What is the InChIKey of 1-(methylamino)-2-(sulfamoylamino)ethane?
The InChIKey is MLJRZGSRJXBQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N3O2S/c1-5-2-3-6-9(4,7)8/h5-6H,2-3H2,1H3,(H2,4,7,8).
What are the key properties of 1-(methylamino)-2-(sulfamoylamino)ethane?
1-(methylamino)-2-(sulfamoylamino)ethane has a molecular weight of 153.21 g/mol, XLogP of -2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-(sulfamoylamino)ethane is sourced from PubChem (CID 59215711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).