1-amino-6-(dimethylsulfamoylamino)hexane

C8H21N3O2S — CID 107844568

IUPAC1-amino-6-(dimethylsulfamoylamino)hexane
SMILESCN(C)S(=O)(=O)NCCCCCCN
InChIInChI=1S/C8H21N3O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7-9/h10H,3-9H2,1-2H3
InChIKeyXYSWWJUUYNAPLL-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.10
Rot. Bonds8

About 1-amino-6-(dimethylsulfamoylamino)hexane

1-amino-6-(dimethylsulfamoylamino)hexane (PubChem CID 107844568) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-amino-6-(dimethylsulfamoylamino)hexane.

Molecular Properties

Compound Name1-amino-6-(dimethylsulfamoylamino)hexane
PubChem CID107844568
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC Name1-amino-6-(dimethylsulfamoylamino)hexane
SMILESCN(C)S(=O)(=O)NCCCCCCN
InChIInChI=1S/C8H21N3O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7-9/h10H,3-9H2,1-2H3
InChIKeyXYSWWJUUYNAPLL-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-bromo-6-(dimethylsulfamoylamino)hexane
CID 107848878
1-amino-4-(diethylsulfamoylamino)butane
CID 60894331
1-aminooxy-3-(dimethylsulfamoylamino)propane
CID 39239879
N'-(methylsulfamoyl)pentane-1,5-diamine
CID 114804066
5-(dimethylsulfamoylamino)pentanoic acid
CID 62034311
butane-1,4-diamine;methanesulfonic acid
CID 160759082
1-(dimethylsulfamoylamino)-2-hydroxyethane
CID 3657512
1-aminooxy-2-(dimethylsulfamoylamino)ethane
CID 39237574
N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine
CID 114804063
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane
CID 103858830
N-(3-aminopropyl)methanesulfonamide
CID 18350602

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-(dimethylsulfamoylamino)hexane?
The IUPAC name of 1-amino-6-(dimethylsulfamoylamino)hexane (CID 107844568) is 1-amino-6-(dimethylsulfamoylamino)hexane.
What is the SMILES notation for 1-amino-6-(dimethylsulfamoylamino)hexane?
The canonical SMILES for 1-amino-6-(dimethylsulfamoylamino)hexane is CN(C)S(=O)(=O)NCCCCCCN.
What is the InChIKey of 1-amino-6-(dimethylsulfamoylamino)hexane?
The InChIKey is XYSWWJUUYNAPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7-9/h10H,3-9H2,1-2H3.
What are the key properties of 1-amino-6-(dimethylsulfamoylamino)hexane?
1-amino-6-(dimethylsulfamoylamino)hexane 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-6-(dimethylsulfamoylamino)hexane is sourced from PubChem (CID 107844568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).