2-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine

C9H19N3O2S — CID 114803985

IUPAC2-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine
SMILESNCC1CCCC1NS(=O)(=O)NC1CC1
InChIInChI=1S/C9H19N3O2S/c10-6-7-2-1-3-9(7)12-15(13,14)11-8-4-5-8/h7-9,11-12H,1-6,10H2
InChIKeyHOZWLISDMPREKD-UHFFFAOYSA-N
MW233.34 g/mol
LogP-0.30
Rot. Bonds5

About 2-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine

2-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine (PubChem CID 114803985) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine
PubChem CID114803985
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name2-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine
SMILESNCC1CCCC1NS(=O)(=O)NC1CC1
InChIInChI=1S/C9H19N3O2S/c10-6-7-2-1-3-9(7)12-15(13,14)11-8-4-5-8/h7-9,11-12H,1-6,10H2
InChIKeyHOZWLISDMPREKD-UHFFFAOYSA-N
XLogP-0.30
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine (CID 114803985) is 2-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine is NCC1CCCC1NS(=O)(=O)NC1CC1.
What is the InChIKey of 2-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine?
The InChIKey is HOZWLISDMPREKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c10-6-7-2-1-3-9(7)12-15(13,14)11-8-4-5-8/h7-9,11-12H,1-6,10H2.
What are the key properties of 2-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine?
2-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine has a molecular weight of 233.34 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine is sourced from PubChem (CID 114803985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).