N-(4-aminopentyl)butane-1-sulfonamide

C9H22N2O2S — CID 106125942

IUPACN-(4-aminopentyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCC(C)N
InChIInChI=1S/C9H22N2O2S/c1-3-4-8-14(12,13)11-7-5-6-9(2)10/h9,11H,3-8,10H2,1-2H3
InChIKeyLEXUIMSKTNANAZ-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.83
Rot. Bonds8

About N-(4-aminopentyl)butane-1-sulfonamide

N-(4-aminopentyl)butane-1-sulfonamide (PubChem CID 106125942) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-(4-aminopentyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminopentyl)butane-1-sulfonamide
PubChem CID106125942
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-(4-aminopentyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCC(C)N
InChIInChI=1S/C9H22N2O2S/c1-3-4-8-14(12,13)11-7-5-6-9(2)10/h9,11H,3-8,10H2,1-2H3
InChIKeyLEXUIMSKTNANAZ-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106125756
N-decylbutane-1-sulfonamide
CID 19681427
N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide
CID 106125800
N-(2-sulfamoylethyl)butane-1-sulfonamide
CID 61131734
N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059418
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
N-(6-iodohexyl)butane-1-sulfonamide
CID 107848989
N-octadecylpropane-1-sulfonamide
CID 88827291
N-[2-(propylamino)ethyl]butane-1-sulfonamide
CID 62663882
N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide
CID 119972480
N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
CID 100655614
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)butane-1-sulfonamide?
The IUPAC name of N-(4-aminopentyl)butane-1-sulfonamide (CID 106125942) is N-(4-aminopentyl)butane-1-sulfonamide.
What is the SMILES notation for N-(4-aminopentyl)butane-1-sulfonamide?
The canonical SMILES for N-(4-aminopentyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCCCC(C)N.
What is the InChIKey of N-(4-aminopentyl)butane-1-sulfonamide?
The InChIKey is LEXUIMSKTNANAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-3-4-8-14(12,13)11-7-5-6-9(2)10/h9,11H,3-8,10H2,1-2H3.
What are the key properties of N-(4-aminopentyl)butane-1-sulfonamide?
N-(4-aminopentyl)butane-1-sulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)butane-1-sulfonamide is sourced from PubChem (CID 106125942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).