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

C8H19N3O2S — CID 114804068

IUPACN'-(cyclopropylsulfamoyl)pentane-1,5-diamine
SMILESNCCCCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C8H19N3O2S/c9-6-2-1-3-7-10-14(12,13)11-8-4-5-8/h8,10-11H,1-7,9H2
InChIKeyIJVYPYHDGYINSV-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.30
Rot. Bonds8

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

N'-(cyclopropylsulfamoyl)pentane-1,5-diamine (PubChem CID 114804068) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is N'-(cyclopropylsulfamoyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(cyclopropylsulfamoyl)pentane-1,5-diamine
PubChem CID114804068
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC NameN'-(cyclopropylsulfamoyl)pentane-1,5-diamine
SMILESNCCCCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C8H19N3O2S/c9-6-2-1-3-7-10-14(12,13)11-8-4-5-8/h8,10-11H,1-7,9H2
InChIKeyIJVYPYHDGYINSV-UHFFFAOYSA-N
XLogP-0.30
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.30
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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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylsulfamoyl)pentane-1,5-diamine?
The IUPAC name of N'-(cyclopropylsulfamoyl)pentane-1,5-diamine (CID 114804068) is N'-(cyclopropylsulfamoyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(cyclopropylsulfamoyl)pentane-1,5-diamine?
The canonical SMILES for N'-(cyclopropylsulfamoyl)pentane-1,5-diamine is NCCCCCNS(=O)(=O)NC1CC1.
What is the InChIKey of N'-(cyclopropylsulfamoyl)pentane-1,5-diamine?
The InChIKey is IJVYPYHDGYINSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c9-6-2-1-3-7-10-14(12,13)11-8-4-5-8/h8,10-11H,1-7,9H2.
What are the key properties of N'-(cyclopropylsulfamoyl)pentane-1,5-diamine?
N'-(cyclopropylsulfamoyl)pentane-1,5-diamine has a molecular weight of 221.33 g/mol, XLogP of -0.30, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylsulfamoyl)pentane-1,5-diamine is sourced from PubChem (CID 114804068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).