N-(5-aminopentyl)-1-cyclopropyl-N-methylmethanesulfonamide

C10H22N2O2S — CID 107206886

IUPACN-(5-aminopentyl)-1-cyclopropyl-N-methylmethanesulfonamide
SMILESCN(CCCCCN)S(=O)(=O)CC1CC1
InChIInChI=1S/C10H22N2O2S/c1-12(8-4-2-3-7-11)15(13,14)9-10-5-6-10/h10H,2-9,11H2,1H3
InChIKeyFDYOAYAHKZHIKS-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.79
Rot. Bonds8

About N-(5-aminopentyl)-1-cyclopropyl-N-methylmethanesulfonamide

N-(5-aminopentyl)-1-cyclopropyl-N-methylmethanesulfonamide (PubChem CID 107206886) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(5-aminopentyl)-1-cyclopropyl-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-1-cyclopropyl-N-methylmethanesulfonamide
PubChem CID107206886
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(5-aminopentyl)-1-cyclopropyl-N-methylmethanesulfonamide
SMILESCN(CCCCCN)S(=O)(=O)CC1CC1
InChIInChI=1S/C10H22N2O2S/c1-12(8-4-2-3-7-11)15(13,14)9-10-5-6-10/h10H,2-9,11H2,1H3
InChIKeyFDYOAYAHKZHIKS-UHFFFAOYSA-N
XLogP0.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
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-(5-aminopentyl)-1-cyclopropyl-N-methylmethanesulfonamide?
The IUPAC name of N-(5-aminopentyl)-1-cyclopropyl-N-methylmethanesulfonamide (CID 107206886) is N-(5-aminopentyl)-1-cyclopropyl-N-methylmethanesulfonamide.
What is the SMILES notation for N-(5-aminopentyl)-1-cyclopropyl-N-methylmethanesulfonamide?
The canonical SMILES for N-(5-aminopentyl)-1-cyclopropyl-N-methylmethanesulfonamide is CN(CCCCCN)S(=O)(=O)CC1CC1.
What is the InChIKey of N-(5-aminopentyl)-1-cyclopropyl-N-methylmethanesulfonamide?
The InChIKey is FDYOAYAHKZHIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-12(8-4-2-3-7-11)15(13,14)9-10-5-6-10/h10H,2-9,11H2,1H3.
What are the key properties of N-(5-aminopentyl)-1-cyclopropyl-N-methylmethanesulfonamide?
N-(5-aminopentyl)-1-cyclopropyl-N-methylmethanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-1-cyclopropyl-N-methylmethanesulfonamide is sourced from PubChem (CID 107206886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).