N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide

C11H24N2O3S — CID 55172877

IUPACN-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(C)C1(CN)CCCC1
InChIInChI=1S/C11H24N2O3S/c1-13(11(10-12)6-3-4-7-11)17(14,15)9-5-8-16-2/h3-10,12H2,1-2H3
InChIKeyLNMPUXZHZISYQL-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.56
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide

N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide (PubChem CID 55172877) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide
PubChem CID55172877
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(C)C1(CN)CCCC1
InChIInChI=1S/C11H24N2O3S/c1-13(11(10-12)6-3-4-7-11)17(14,15)9-5-8-16-2/h3-10,12H2,1-2H3
InChIKeyLNMPUXZHZISYQL-UHFFFAOYSA-N
XLogP0.56
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-propan-2-yloxyethanesulfonamide
CID 79594262
N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide
CID 55031343
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55172685
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55172878
N-[3-(aminomethyl)pentan-3-yl]-3-methoxy-N-propylpropane-1-sulfonamide
CID 55172879
N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide
CID 55175653
N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide
CID 55175654
N-[3-(aminomethyl)pentan-3-yl]-2-ethoxy-N-ethylethanesulfonamide
CID 55175847
N-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide
CID 55261493
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide
CID 56790202
N-[1-(aminomethyl)cyclopentyl]-2-methoxyethanesulfonamide
CID 61608660
N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide
CID 62007429

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide (CID 55172877) is N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide is COCCCS(=O)(=O)N(C)C1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide?
The InChIKey is LNMPUXZHZISYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-13(11(10-12)6-3-4-7-11)17(14,15)9-5-8-16-2/h3-10,12H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 55172877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).