ethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate

C9H19N3O5S — CID 106297834

IUPACethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C9H19N3O5S/c1-2-17-8(13)11-18(14,15)12-9(7-10)3-5-16-6-4-9/h12H,2-7,10H2,1H3,(H,11,13)
InChIKeyWTJNYQNNMHSASN-UHFFFAOYSA-N
MW281.33 g/mol
LogP-0.93
Rot. Bonds5

About ethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate

ethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate (PubChem CID 106297834) has the molecular formula C9H19N3O5S and a molecular weight of 281.33 g/mol. Its IUPAC name is ethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate
PubChem CID106297834
Molecular FormulaC9H19N3O5S
Molecular Weight281.33 g/mol
Exact Mass281.10
IUPAC Nameethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C9H19N3O5S/c1-2-17-8(13)11-18(14,15)12-9(7-10)3-5-16-6-4-9/h12H,2-7,10H2,1H3,(H,11,13)
InChIKeyWTJNYQNNMHSASN-UHFFFAOYSA-N
XLogP-0.93
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate?
The IUPAC name of ethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate (CID 106297834) is ethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NC1(CN)CCOCC1.
What is the InChIKey of ethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate?
The InChIKey is WTJNYQNNMHSASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O5S/c1-2-17-8(13)11-18(14,15)12-9(7-10)3-5-16-6-4-9/h12H,2-7,10H2,1H3,(H,11,13).
What are the key properties of ethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate?
ethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate has a molecular weight of 281.33 g/mol, XLogP of -0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-(aminomethyl)oxan-4-yl]sulfamoyl]carbamate is sourced from PubChem (CID 106297834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).