N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine

C8H21N3O2S — CID 114804063

IUPACN'-(propan-2-ylsulfamoyl)pentane-1,5-diamine
SMILESCC(C)NS(=O)(=O)NCCCCCN
InChIInChI=1S/C8H21N3O2S/c1-8(2)11-14(12,13)10-7-5-3-4-6-9/h8,10-11H,3-7,9H2,1-2H3
InChIKeyNKMPMVKYQONEMH-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.05
Rot. Bonds8

About N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine

N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine (PubChem CID 114804063) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(propan-2-ylsulfamoyl)pentane-1,5-diamine
PubChem CID114804063
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC NameN'-(propan-2-ylsulfamoyl)pentane-1,5-diamine
SMILESCC(C)NS(=O)(=O)NCCCCCN
InChIInChI=1S/C8H21N3O2S/c1-8(2)11-14(12,13)10-7-5-3-4-6-9/h8,10-11H,3-7,9H2,1-2H3
InChIKeyNKMPMVKYQONEMH-UHFFFAOYSA-N
XLogP-0.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(methylsulfamoyl)pentane-1,5-diamine
CID 114804066
2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol
CID 103946879
N-(2-methylsulfonylethylsulfamoyl)propan-2-amine
CID 110612472
N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine
CID 114810384
1-amino-6-(dimethylsulfamoylamino)hexane
CID 107844568
N'-propan-2-yloctane-1,8-diamine
CID 138605826
butane-1,4-diamine;methanesulfonic acid
CID 160759082
N-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide
CID 86168934
N-(2-azidoethylsulfamoyl)propan-2-amine
CID 114812616
4-(4-aminobutylamino)-N-propan-2-ylbenzenesulfonamide
CID 60895600
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
N-(6-aminohexyl)cyclohexanesulfonamide
CID 114008140

Frequently Asked Questions

What is the IUPAC name of N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine?
The IUPAC name of N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine (CID 114804063) is N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine?
The canonical SMILES for N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine is CC(C)NS(=O)(=O)NCCCCCN.
What is the InChIKey of N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine?
The InChIKey is NKMPMVKYQONEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-8(2)11-14(12,13)10-7-5-3-4-6-9/h8,10-11H,3-7,9H2,1-2H3.
What are the key properties of N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine?
N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine has a molecular weight of 223.34 g/mol, XLogP of -0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine is sourced from PubChem (CID 114804063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).