4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine

C9H21N3O4S — CID 106297703

IUPAC4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine
SMILESCOCCNS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C9H21N3O4S/c1-15-7-4-11-17(13,14)12-9(8-10)2-5-16-6-3-9/h11-12H,2-8,10H2,1H3
InChIKeyIOPOARZHQIZNFV-UHFFFAOYSA-N
MW267.35 g/mol
LogP-1.44
Rot. Bonds7

About 4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine

4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine (PubChem CID 106297703) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine
PubChem CID106297703
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC Name4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine
SMILESCOCCNS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C9H21N3O4S/c1-15-7-4-11-17(13,14)12-9(8-10)2-5-16-6-3-9/h11-12H,2-8,10H2,1H3
InChIKeyIOPOARZHQIZNFV-UHFFFAOYSA-N
XLogP-1.44
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine
CID 114170108
[[(3R,4R)-3-amino-4-methyloxan-4-yl]amino]-tert-butyl-oxidosulfanium
CID 173638865
N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide
CID 106297739
4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine
CID 106297746
4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine
CID 106297749
4-(aminomethyl)-N-(ethylsulfamoyl)oxan-4-amine
CID 106297771
4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine
CID 106297780
4-(aminomethyl)-N-(tert-butylsulfamoyl)oxan-4-amine
CID 106297783
N-[4-(aminomethyl)oxan-4-yl]morpholine-4-sulfonamide
CID 106297820
ethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate
CID 106297834
N-[4-(aminomethyl)oxan-4-yl]methanesulfonamide
CID 106297838
4-(aminomethyl)-N-(propylsulfamoyl)oxan-4-amine
CID 106297859

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine (CID 106297703) is 4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine is COCCNS(=O)(=O)NC1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine?
The InChIKey is IOPOARZHQIZNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-15-7-4-11-17(13,14)12-9(8-10)2-5-16-6-3-9/h11-12H,2-8,10H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine?
4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine has a molecular weight of 267.35 g/mol, XLogP of -1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine is sourced from PubChem (CID 106297703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).