2-(methanesulfonamido)propyl methanesulfonate

C5H13NO5S2 — CID 23251550

IUPAC2-(methanesulfonamido)propyl methanesulfonate
SMILESCC(COS(C)(=O)=O)NS(C)(=O)=O
InChIInChI=1S/C5H13NO5S2/c1-5(6-12(2,7)8)4-11-13(3,9)10/h5-6H,4H2,1-3H3
InChIKeyLDQIMWFBDXHVEN-UHFFFAOYSA-N
MW231.29 g/mol
LogP-1.10
Rot. Bonds5

About 2-(methanesulfonamido)propyl methanesulfonate

2-(methanesulfonamido)propyl methanesulfonate (PubChem CID 23251550) has the molecular formula C5H13NO5S2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(methanesulfonamido)propyl methanesulfonate.

Molecular Properties

Compound Name2-(methanesulfonamido)propyl methanesulfonate
PubChem CID23251550
Molecular FormulaC5H13NO5S2
Molecular Weight231.29 g/mol
Exact Mass231.02
IUPAC Name2-(methanesulfonamido)propyl methanesulfonate
SMILESCC(COS(C)(=O)=O)NS(C)(=O)=O
InChIInChI=1S/C5H13NO5S2/c1-5(6-12(2,7)8)4-11-13(3,9)10/h5-6H,4H2,1-3H3
InChIKeyLDQIMWFBDXHVEN-UHFFFAOYSA-N
XLogP-1.10
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)propyl methanesulfonate?
The IUPAC name of 2-(methanesulfonamido)propyl methanesulfonate (CID 23251550) is 2-(methanesulfonamido)propyl methanesulfonate.
What is the SMILES notation for 2-(methanesulfonamido)propyl methanesulfonate?
The canonical SMILES for 2-(methanesulfonamido)propyl methanesulfonate is CC(COS(C)(=O)=O)NS(C)(=O)=O.
What is the InChIKey of 2-(methanesulfonamido)propyl methanesulfonate?
The InChIKey is LDQIMWFBDXHVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO5S2/c1-5(6-12(2,7)8)4-11-13(3,9)10/h5-6H,4H2,1-3H3.
What are the key properties of 2-(methanesulfonamido)propyl methanesulfonate?
2-(methanesulfonamido)propyl methanesulfonate has a molecular weight of 231.29 g/mol, XLogP of -1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)propyl methanesulfonate is sourced from PubChem (CID 23251550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).