N-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide

C11H26N2O4S2 — CID 16654952

IUPACN-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCNS(=O)(=O)CCCC
InChIInChI=1S/C11H26N2O4S2/c1-3-5-10-18(14,15)12-8-7-9-13-19(16,17)11-6-4-2/h12-13H,3-11H2,1-2H3
InChIKeyUZJRTJFRBFAFQP-UHFFFAOYSA-N
MW314.47 g/mol
LogP0.82
Rot. Bonds12

About N-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide

N-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide (PubChem CID 16654952) has the molecular formula C11H26N2O4S2 and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide
PubChem CID16654952
Molecular FormulaC11H26N2O4S2
Molecular Weight314.47 g/mol
Exact Mass314.13
IUPAC NameN-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCNS(=O)(=O)CCCC
InChIInChI=1S/C11H26N2O4S2/c1-3-5-10-18(14,15)12-8-7-9-13-19(16,17)11-6-4-2/h12-13H,3-11H2,1-2H3
InChIKeyUZJRTJFRBFAFQP-UHFFFAOYSA-N
XLogP0.82
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 50.82
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

N,N''-(heptane-1,7-diyl)dipropane-2-sulfonamide
CID 9902629
N-(3-aminopropyl)-N-methylethane-1-sulfonamide
CID 28387158
N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide
CID 3336314
N-[3-(methanesulfonamido)propyl]methanesulfonamide
CID 4609400
N-[2-(butylsulfonylamino)ethyl]butane-1-sulfonamide
CID 44434526
N-(3-aminopropyl)ethane-1-sulfonamide
CID 24702447
N-[2-(propylsulfonylamino)ethyl]propane-1-sulfonamide
CID 44434513
N-[3-(propylsulfonylamino)propyl]propane-1-sulfonamide
CID 44434514
N-[4-(propylsulfonylamino)butyl]propane-1-sulfonamide
CID 44434515
N-[4-(butylsulfonylamino)butyl]butane-1-sulfonamide
CID 44434527
N-[5-(butylsulfonylamino)pentyl]butane-1-sulfonamide
CID 44434528
N-[5-(ethylsulfonylamino)pentyl]ethanesulfonamide
CID 76333274

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide?
The IUPAC name of N-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide (CID 16654952) is N-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide.
What is the SMILES notation for N-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide?
The canonical SMILES for N-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCCNS(=O)(=O)CCCC.
What is the InChIKey of N-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide?
The InChIKey is UZJRTJFRBFAFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O4S2/c1-3-5-10-18(14,15)12-8-7-9-13-19(16,17)11-6-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of N-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide?
N-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide has a molecular weight of 314.47 g/mol, XLogP of 0.82, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfonylamino)propyl]butane-1-sulfonamide is sourced from PubChem (CID 16654952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).