N-(3-aminopropyl)cyclopropanesulfonamide

C6H14N2O2S — CID 64553015

IUPACN-(3-aminopropyl)cyclopropanesulfonamide
SMILESNCCCNS(=O)(=O)C1CC1
InChIInChI=1S/C6H14N2O2S/c7-4-1-5-8-11(9,10)6-2-3-6/h6,8H,1-5,7H2
InChIKeyYZQBNLLUMZKXAG-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.58
Rot. Bonds5

About N-(3-aminopropyl)cyclopropanesulfonamide

N-(3-aminopropyl)cyclopropanesulfonamide (PubChem CID 64553015) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-(3-aminopropyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)cyclopropanesulfonamide
PubChem CID64553015
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN-(3-aminopropyl)cyclopropanesulfonamide
SMILESNCCCNS(=O)(=O)C1CC1
InChIInChI=1S/C6H14N2O2S/c7-4-1-5-8-11(9,10)6-2-3-6/h6,8H,1-5,7H2
InChIKeyYZQBNLLUMZKXAG-UHFFFAOYSA-N
XLogP-0.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.58
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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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)cyclopropanesulfonamide?
The IUPAC name of N-(3-aminopropyl)cyclopropanesulfonamide (CID 64553015) is N-(3-aminopropyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)cyclopropanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)cyclopropanesulfonamide is NCCCNS(=O)(=O)C1CC1.
What is the InChIKey of N-(3-aminopropyl)cyclopropanesulfonamide?
The InChIKey is YZQBNLLUMZKXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c7-4-1-5-8-11(9,10)6-2-3-6/h6,8H,1-5,7H2.
What are the key properties of N-(3-aminopropyl)cyclopropanesulfonamide?
N-(3-aminopropyl)cyclopropanesulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)cyclopropanesulfonamide is sourced from PubChem (CID 64553015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).