N'-(methylsulfamoyl)pentane-1,5-diamine

C6H17N3O2S — CID 114804066

IUPACN'-(methylsulfamoyl)pentane-1,5-diamine
SMILESCNS(=O)(=O)NCCCCCN
InChIInChI=1S/C6H17N3O2S/c1-8-12(10,11)9-6-4-2-3-5-7/h8-9H,2-7H2,1H3
InChIKeyDCEYUYNGFJJNRQ-UHFFFAOYSA-N
MW195.29 g/mol
LogP-0.83
Rot. Bonds7

About N'-(methylsulfamoyl)pentane-1,5-diamine

N'-(methylsulfamoyl)pentane-1,5-diamine (PubChem CID 114804066) has the molecular formula C6H17N3O2S and a molecular weight of 195.29 g/mol. Its IUPAC name is N'-(methylsulfamoyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(methylsulfamoyl)pentane-1,5-diamine
PubChem CID114804066
Molecular FormulaC6H17N3O2S
Molecular Weight195.29 g/mol
Exact Mass195.10
IUPAC NameN'-(methylsulfamoyl)pentane-1,5-diamine
SMILESCNS(=O)(=O)NCCCCCN
InChIInChI=1S/C6H17N3O2S/c1-8-12(10,11)9-6-4-2-3-5-7/h8-9H,2-7H2,1H3
InChIKeyDCEYUYNGFJJNRQ-UHFFFAOYSA-N
XLogP-0.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 5-0.83
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'-(propan-2-ylsulfamoyl)pentane-1,5-diamine
CID 114804063
1-amino-6-(dimethylsulfamoylamino)hexane
CID 107844568
butane-1,4-diamine;methanesulfonic acid
CID 160759082
2,2-dimethyl-N-(methylsulfamoyl)pentane-1,5-diamine
CID 106141802
N-(methylsulfamoyl)pent-4-yn-1-amine
CID 106223287
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
N-(3-aminopropyl)methanesulfonamide
CID 18350602
1-amino-4-(diethylsulfamoylamino)butane
CID 60894331
N-(4-aminobutyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 120583696
N-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 120583763
N-(6-aminohexyl)cyclohexanesulfonamide
CID 114008140
N-(6-aminohexyl)piperidine-1-sulfonamide
CID 114008123

Frequently Asked Questions

What is the IUPAC name of N'-(methylsulfamoyl)pentane-1,5-diamine?
The IUPAC name of N'-(methylsulfamoyl)pentane-1,5-diamine (CID 114804066) is N'-(methylsulfamoyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(methylsulfamoyl)pentane-1,5-diamine?
The canonical SMILES for N'-(methylsulfamoyl)pentane-1,5-diamine is CNS(=O)(=O)NCCCCCN.
What is the InChIKey of N'-(methylsulfamoyl)pentane-1,5-diamine?
The InChIKey is DCEYUYNGFJJNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O2S/c1-8-12(10,11)9-6-4-2-3-5-7/h8-9H,2-7H2,1H3.
What are the key properties of N'-(methylsulfamoyl)pentane-1,5-diamine?
N'-(methylsulfamoyl)pentane-1,5-diamine has a molecular weight of 195.29 g/mol, XLogP of -0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(methylsulfamoyl)pentane-1,5-diamine is sourced from PubChem (CID 114804066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).