N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine

C8H19N3O3S — CID 114816777

IUPACN-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine
SMILESCOCCNS(=O)(=O)NCC1(CN)CC1
InChIInChI=1S/C8H19N3O3S/c1-14-5-4-10-15(12,13)11-7-8(6-9)2-3-8/h10-11H,2-7,9H2,1H3
InChIKeyGORRQFFYWWBZQI-UHFFFAOYSA-N
MW237.32 g/mol
LogP-1.20
Rot. Bonds8

About N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine

N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine (PubChem CID 114816777) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine
PubChem CID114816777
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine
SMILESCOCCNS(=O)(=O)NCC1(CN)CC1
InChIInChI=1S/C8H19N3O3S/c1-14-5-4-10-15(12,13)11-7-8(6-9)2-3-8/h10-11H,2-7,9H2,1H3
InChIKeyGORRQFFYWWBZQI-UHFFFAOYSA-N
XLogP-1.20
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
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)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide
CID 115456941
2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814505
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 115449017
1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
CID 114815694
3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol
CID 106102940
2-(2-methoxyethylsulfamoylamino)ethanesulfonamide
CID 114816615
1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine
CID 114816081
N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2-methylpropan-2-amine
CID 114812942
N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine
CID 106154148
1-(aminomethyl)-1-[(diethylsulfamoylamino)methyl]cyclopropane
CID 115456937
N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide
CID 104978766
3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide
CID 114816760

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine (CID 114816777) is N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine is COCCNS(=O)(=O)NCC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine?
The InChIKey is GORRQFFYWWBZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-14-5-4-10-15(12,13)11-7-8(6-9)2-3-8/h10-11H,2-7,9H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine?
N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine has a molecular weight of 237.32 g/mol, XLogP of -1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine is sourced from PubChem (CID 114816777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).