N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide

C9H20N2O3S — CID 115456941

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC1(CN)CC1
InChIInChI=1S/C9H20N2O3S/c1-14-5-2-6-15(12,13)11-8-9(7-10)3-4-9/h11H,2-8,10H2,1H3
InChIKeyMEIQJXPUIQADKL-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.32
Rot. Bonds8

About N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide (PubChem CID 115456941) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide
PubChem CID115456941
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC1(CN)CC1
InChIInChI=1S/C9H20N2O3S/c1-14-5-2-6-15(12,13)11-8-9(7-10)3-4-9/h11H,2-8,10H2,1H3
InChIKeyMEIQJXPUIQADKL-UHFFFAOYSA-N
XLogP-0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine
CID 114816777
N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
CID 65122529
N-[1-(aminomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290111
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide
CID 114170087
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290240
N-(cyanomethyl)-3-methoxypropane-1-sulfonamide
CID 63290412
2-(2-aminoethoxy)-N-[(1-propylcyclopropyl)methyl]ethanesulfonamide
CID 112751637
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896587
[1-(4-methoxybutyl)cyclopropyl]methanamine
CID 104649416
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide;hydrochloride
CID 120896586

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide (CID 115456941) is N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NCC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide?
The InChIKey is MEIQJXPUIQADKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-14-5-2-6-15(12,13)11-8-9(7-10)3-4-9/h11H,2-8,10H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 115456941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).