1-amino-4-(diethylsulfamoylamino)butane

C8H21N3O2S — CID 60894331

IUPAC1-amino-4-(diethylsulfamoylamino)butane
SMILESCCN(CC)S(=O)(=O)NCCCCN
InChIInChI=1S/C8H21N3O2S/c1-3-11(4-2)14(12,13)10-8-6-5-7-9/h10H,3-9H2,1-2H3
InChIKeyNZJOYOUKMPPJAE-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.10
Rot. Bonds8

About 1-amino-4-(diethylsulfamoylamino)butane

1-amino-4-(diethylsulfamoylamino)butane (PubChem CID 60894331) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-amino-4-(diethylsulfamoylamino)butane.

Molecular Properties

Compound Name1-amino-4-(diethylsulfamoylamino)butane
PubChem CID60894331
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC Name1-amino-4-(diethylsulfamoylamino)butane
SMILESCCN(CC)S(=O)(=O)NCCCCN
InChIInChI=1S/C8H21N3O2S/c1-3-11(4-2)14(12,13)10-8-6-5-7-9/h10H,3-9H2,1-2H3
InChIKeyNZJOYOUKMPPJAE-UHFFFAOYSA-N
XLogP-0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.10
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

1-(diethylsulfamoylamino)-5-hydroxypentane
CID 107319491
1-amino-6-(dimethylsulfamoylamino)hexane
CID 107844568
1-amino-2-[[2-aminoethyl(ethyl)sulfamoyl]amino]ethane
CID 155056416
1-amino-2-[ethyl(2-methoxyethylsulfamoyl)amino]ethane
CID 114813872
butane-1,4-diamine;methanesulfonic acid
CID 160759082
N'-(methylsulfamoyl)pentane-1,5-diamine
CID 114804066
methyl 3-(diethylsulfamoylamino)propanoate
CID 60713707
1-(aminomethyl)-1-[(diethylsulfamoylamino)methyl]cyclopropane
CID 115456937
N-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 120583763
N-(3-aminopropyl)methanesulfonamide
CID 18350602
1-(diethylsulfamoylamino)-2-methylpropane
CID 60708093
1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene
CID 54936307

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(diethylsulfamoylamino)butane?
The IUPAC name of 1-amino-4-(diethylsulfamoylamino)butane (CID 60894331) is 1-amino-4-(diethylsulfamoylamino)butane.
What is the SMILES notation for 1-amino-4-(diethylsulfamoylamino)butane?
The canonical SMILES for 1-amino-4-(diethylsulfamoylamino)butane is CCN(CC)S(=O)(=O)NCCCCN.
What is the InChIKey of 1-amino-4-(diethylsulfamoylamino)butane?
The InChIKey is NZJOYOUKMPPJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-3-11(4-2)14(12,13)10-8-6-5-7-9/h10H,3-9H2,1-2H3.
What are the key properties of 1-amino-4-(diethylsulfamoylamino)butane?
1-amino-4-(diethylsulfamoylamino)butane has a molecular weight of 223.34 g/mol, XLogP of -0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(diethylsulfamoylamino)butane is sourced from PubChem (CID 60894331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).