[methylsulfonyl(propyl)amino] thiohypobromite

C4H10BrNO2S2 — CID 18914760

IUPAC[methylsulfonyl(propyl)amino] thiohypobromite
SMILESCCCN(SBr)S(C)(=O)=O
InChIInChI=1S/C4H10BrNO2S2/c1-3-4-6(9-5)10(2,7)8/h3-4H2,1-2H3
InChIKeyCLHDTCXHZAHDLL-UHFFFAOYSA-N
MW248.17 g/mol
LogP1.62
Rot. Bonds4

About [methylsulfonyl(propyl)amino] thiohypobromite

[methylsulfonyl(propyl)amino] thiohypobromite (PubChem CID 18914760) has the molecular formula C4H10BrNO2S2 and a molecular weight of 248.17 g/mol. Its IUPAC name is [methylsulfonyl(propyl)amino] thiohypobromite.

Molecular Properties

Compound Name[methylsulfonyl(propyl)amino] thiohypobromite
PubChem CID18914760
Molecular FormulaC4H10BrNO2S2
Molecular Weight248.17 g/mol
Exact Mass246.93
IUPAC Name[methylsulfonyl(propyl)amino] thiohypobromite
SMILESCCCN(SBr)S(C)(=O)=O
InChIInChI=1S/C4H10BrNO2S2/c1-3-4-6(9-5)10(2,7)8/h3-4H2,1-2H3
InChIKeyCLHDTCXHZAHDLL-UHFFFAOYSA-N
XLogP1.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [methylsulfonyl(propyl)amino] thiohypobromite?
The IUPAC name of [methylsulfonyl(propyl)amino] thiohypobromite (CID 18914760) is [methylsulfonyl(propyl)amino] thiohypobromite.
What is the SMILES notation for [methylsulfonyl(propyl)amino] thiohypobromite?
The canonical SMILES for [methylsulfonyl(propyl)amino] thiohypobromite is CCCN(SBr)S(C)(=O)=O.
What is the InChIKey of [methylsulfonyl(propyl)amino] thiohypobromite?
The InChIKey is CLHDTCXHZAHDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrNO2S2/c1-3-4-6(9-5)10(2,7)8/h3-4H2,1-2H3.
What are the key properties of [methylsulfonyl(propyl)amino] thiohypobromite?
[methylsulfonyl(propyl)amino] thiohypobromite has a molecular weight of 248.17 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methylsulfonyl(propyl)amino] thiohypobromite is sourced from PubChem (CID 18914760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).