3-(cyclopentylmethylsulfamoyl)propyl methanesulfonate

C10H21NO5S2 — CID 144836495

IUPAC3-(cyclopentylmethylsulfamoyl)propyl methanesulfonate
SMILESCS(=O)(=O)OCCCS(=O)(=O)NCC1CCCC1
InChIInChI=1S/C10H21NO5S2/c1-17(12,13)16-7-4-8-18(14,15)11-9-10-5-2-3-6-10/h10-11H,2-9H2,1H3
InChIKeyLTWMVLCOGNMDIX-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.46
Rot. Bonds8

About 3-(cyclopentylmethylsulfamoyl)propyl methanesulfonate

3-(cyclopentylmethylsulfamoyl)propyl methanesulfonate (PubChem CID 144836495) has the molecular formula C10H21NO5S2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfamoyl)propyl methanesulfonate.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfamoyl)propyl methanesulfonate
PubChem CID144836495
Molecular FormulaC10H21NO5S2
Molecular Weight299.41 g/mol
Exact Mass299.09
IUPAC Name3-(cyclopentylmethylsulfamoyl)propyl methanesulfonate
SMILESCS(=O)(=O)OCCCS(=O)(=O)NCC1CCCC1
InChIInChI=1S/C10H21NO5S2/c1-17(12,13)16-7-4-8-18(14,15)11-9-10-5-2-3-6-10/h10-11H,2-9H2,1H3
InChIKeyLTWMVLCOGNMDIX-UHFFFAOYSA-N
XLogP0.46
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylsulfamoyl)propyl methanesulfonate?
The IUPAC name of 3-(cyclopentylmethylsulfamoyl)propyl methanesulfonate (CID 144836495) is 3-(cyclopentylmethylsulfamoyl)propyl methanesulfonate.
What is the SMILES notation for 3-(cyclopentylmethylsulfamoyl)propyl methanesulfonate?
The canonical SMILES for 3-(cyclopentylmethylsulfamoyl)propyl methanesulfonate is CS(=O)(=O)OCCCS(=O)(=O)NCC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethylsulfamoyl)propyl methanesulfonate?
The InChIKey is LTWMVLCOGNMDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S2/c1-17(12,13)16-7-4-8-18(14,15)11-9-10-5-2-3-6-10/h10-11H,2-9H2,1H3.
What are the key properties of 3-(cyclopentylmethylsulfamoyl)propyl methanesulfonate?
3-(cyclopentylmethylsulfamoyl)propyl methanesulfonate has a molecular weight of 299.41 g/mol, XLogP of 0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfamoyl)propyl methanesulfonate is sourced from PubChem (CID 144836495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).