3-(pentylsulfonylamino)pentane-1-sulfonamide

C10H24N2O4S2 — CID 57145872

IUPAC3-(pentylsulfonylamino)pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NC(CC)CCS(N)(=O)=O
InChIInChI=1S/C10H24N2O4S2/c1-3-5-6-8-18(15,16)12-10(4-2)7-9-17(11,13)14/h10,12H,3-9H2,1-2H3,(H2,11,13,14)
InChIKeyUGOHYBCFLUWRJF-UHFFFAOYSA-N
MW300.45 g/mol
LogP0.55
Rot. Bonds10

About 3-(pentylsulfonylamino)pentane-1-sulfonamide

3-(pentylsulfonylamino)pentane-1-sulfonamide (PubChem CID 57145872) has the molecular formula C10H24N2O4S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-(pentylsulfonylamino)pentane-1-sulfonamide.

Molecular Properties

Compound Name3-(pentylsulfonylamino)pentane-1-sulfonamide
PubChem CID57145872
Molecular FormulaC10H24N2O4S2
Molecular Weight300.45 g/mol
Exact Mass300.12
IUPAC Name3-(pentylsulfonylamino)pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NC(CC)CCS(N)(=O)=O
InChIInChI=1S/C10H24N2O4S2/c1-3-5-6-8-18(15,16)12-10(4-2)7-9-17(11,13)14/h10,12H,3-9H2,1-2H3,(H2,11,13,14)
InChIKeyUGOHYBCFLUWRJF-UHFFFAOYSA-N
XLogP0.55
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 3336314
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CID 44434526
CID 44434526
CID 47002472
CID 47002472
CID 10607562
CID 10607562
CID 16654952
CID 16654952
CID 44365833
CID 44365833
CID 44434513
CID 44434513
CID 44434514
CID 44434514
CID 44434515
CID 44434515
CID 44434527
CID 44434527

Frequently Asked Questions

What is the IUPAC name of 3-(pentylsulfonylamino)pentane-1-sulfonamide?
The IUPAC name of 3-(pentylsulfonylamino)pentane-1-sulfonamide (CID 57145872) is 3-(pentylsulfonylamino)pentane-1-sulfonamide.
What is the SMILES notation for 3-(pentylsulfonylamino)pentane-1-sulfonamide?
The canonical SMILES for 3-(pentylsulfonylamino)pentane-1-sulfonamide is CCCCCS(=O)(=O)NC(CC)CCS(N)(=O)=O.
What is the InChIKey of 3-(pentylsulfonylamino)pentane-1-sulfonamide?
The InChIKey is UGOHYBCFLUWRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O4S2/c1-3-5-6-8-18(15,16)12-10(4-2)7-9-17(11,13)14/h10,12H,3-9H2,1-2H3,(H2,11,13,14).
What are the key properties of 3-(pentylsulfonylamino)pentane-1-sulfonamide?
3-(pentylsulfonylamino)pentane-1-sulfonamide has a molecular weight of 300.45 g/mol, XLogP of 0.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentylsulfonylamino)pentane-1-sulfonamide is sourced from PubChem (CID 57145872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).