3-methylsulfonothioyloxypropan-1-amine;hydrobromide

C4H12BrNO2S2 — CID 53443169

IUPAC3-methylsulfonothioyloxypropan-1-amine;hydrobromide
SMILESBr.CS(=O)(=S)OCCCN
InChIInChI=1S/C4H11NO2S2.BrH/c1-9(6,8)7-4-2-3-5;/h2-5H2,1H3;1H
InChIKeyWRAGHSOSSPSMJR-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.22
Rot. Bonds4

About 3-methylsulfonothioyloxypropan-1-amine;hydrobromide

3-methylsulfonothioyloxypropan-1-amine;hydrobromide (PubChem CID 53443169) has the molecular formula C4H12BrNO2S2 and a molecular weight of 250.18 g/mol. Its IUPAC name is 3-methylsulfonothioyloxypropan-1-amine;hydrobromide.

Molecular Properties

Compound Name3-methylsulfonothioyloxypropan-1-amine;hydrobromide
PubChem CID53443169
Molecular FormulaC4H12BrNO2S2
Molecular Weight250.18 g/mol
Exact Mass248.95
IUPAC Name3-methylsulfonothioyloxypropan-1-amine;hydrobromide
SMILESBr.CS(=O)(=S)OCCCN
InChIInChI=1S/C4H11NO2S2.BrH/c1-9(6,8)7-4-2-3-5;/h2-5H2,1H3;1H
InChIKeyWRAGHSOSSPSMJR-UHFFFAOYSA-N
XLogP0.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.22
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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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonothioyloxypropan-1-amine;hydrobromide?
The IUPAC name of 3-methylsulfonothioyloxypropan-1-amine;hydrobromide (CID 53443169) is 3-methylsulfonothioyloxypropan-1-amine;hydrobromide.
What is the SMILES notation for 3-methylsulfonothioyloxypropan-1-amine;hydrobromide?
The canonical SMILES for 3-methylsulfonothioyloxypropan-1-amine;hydrobromide is Br.CS(=O)(=S)OCCCN.
What is the InChIKey of 3-methylsulfonothioyloxypropan-1-amine;hydrobromide?
The InChIKey is WRAGHSOSSPSMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S2.BrH/c1-9(6,8)7-4-2-3-5;/h2-5H2,1H3;1H.
What are the key properties of 3-methylsulfonothioyloxypropan-1-amine;hydrobromide?
3-methylsulfonothioyloxypropan-1-amine;hydrobromide has a molecular weight of 250.18 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonothioyloxypropan-1-amine;hydrobromide is sourced from PubChem (CID 53443169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).