5-methylsulfonothioyloxypentan-1-amine;hydrobromide

C6H16BrNO2S2 — CID 57349176

IUPAC5-methylsulfonothioyloxypentan-1-amine;hydrobromide
SMILESBr.CS(=O)(=S)OCCCCCN
InChIInChI=1S/C6H15NO2S2.BrH/c1-11(8,10)9-6-4-2-3-5-7;/h2-7H2,1H3;1H
InChIKeyYPULAFMTOZSEPN-UHFFFAOYSA-N
MW278.24 g/mol
LogP1.00
Rot. Bonds6

About 5-methylsulfonothioyloxypentan-1-amine;hydrobromide

5-methylsulfonothioyloxypentan-1-amine;hydrobromide (PubChem CID 57349176) has the molecular formula C6H16BrNO2S2 and a molecular weight of 278.24 g/mol. Its IUPAC name is 5-methylsulfonothioyloxypentan-1-amine;hydrobromide.

Molecular Properties

Compound Name5-methylsulfonothioyloxypentan-1-amine;hydrobromide
PubChem CID57349176
Molecular FormulaC6H16BrNO2S2
Molecular Weight278.24 g/mol
Exact Mass276.98
IUPAC Name5-methylsulfonothioyloxypentan-1-amine;hydrobromide
SMILESBr.CS(=O)(=S)OCCCCCN
InChIInChI=1S/C6H15NO2S2.BrH/c1-11(8,10)9-6-4-2-3-5-7;/h2-7H2,1H3;1H
InChIKeyYPULAFMTOZSEPN-UHFFFAOYSA-N
XLogP1.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-12-methylsulfanylsulfonyloxydodecane
CID 71776247
dodecan-1-amine;dodecyl hydrogen sulfate
CID 159139860
butane-1,4-diamine;methanesulfonic acid
CID 160759082
9-methylsulfonylnonan-1-amine
CID 101417644
2-aminoethyl dodecyl sulfate
CID 87208961
diheptoxy-oxo-sulfanylidene-λ6-sulfane
CID 174817638
4-aminobutyl 2-methyl-1-oxoprop-2-ene-1-sulfonate
CID 138470301
chromium;4-methylsulfonyloxybutyl methanesulfonate
CID 174784786
heptane-1,7-diamine;tetrahydrobromide
CID 174950337
hexane-1,6-diamine;platinum
CID 87698683
pentane-1,5-diamine;dihydrobromide
CID 87582695
cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane
CID 86740778

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonothioyloxypentan-1-amine;hydrobromide?
The IUPAC name of 5-methylsulfonothioyloxypentan-1-amine;hydrobromide (CID 57349176) is 5-methylsulfonothioyloxypentan-1-amine;hydrobromide.
What is the SMILES notation for 5-methylsulfonothioyloxypentan-1-amine;hydrobromide?
The canonical SMILES for 5-methylsulfonothioyloxypentan-1-amine;hydrobromide is Br.CS(=O)(=S)OCCCCCN.
What is the InChIKey of 5-methylsulfonothioyloxypentan-1-amine;hydrobromide?
The InChIKey is YPULAFMTOZSEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S2.BrH/c1-11(8,10)9-6-4-2-3-5-7;/h2-7H2,1H3;1H.
What are the key properties of 5-methylsulfonothioyloxypentan-1-amine;hydrobromide?
5-methylsulfonothioyloxypentan-1-amine;hydrobromide has a molecular weight of 278.24 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonothioyloxypentan-1-amine;hydrobromide is sourced from PubChem (CID 57349176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).