5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide

C12H23N3O2S — CID 106325306

IUPAC5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)NCCN2CCSCC2)O1
InChIInChI=1S/C12H23N3O2S/c13-9-10-1-2-11(17-10)12(16)14-3-4-15-5-7-18-8-6-15/h10-11H,1-9,13H2,(H,14,16)
InChIKeySSOFQMJTOKPZGK-UHFFFAOYSA-N
MW273.40 g/mol
LogP-0.34
Rot. Bonds5

About 5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide

5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide (PubChem CID 106325306) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide
PubChem CID106325306
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)NCCN2CCSCC2)O1
InChIInChI=1S/C12H23N3O2S/c13-9-10-1-2-11(17-10)12(16)14-3-4-15-5-7-18-8-6-15/h10-11H,1-9,13H2,(H,14,16)
InChIKeySSOFQMJTOKPZGK-UHFFFAOYSA-N
XLogP-0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide (CID 106325306) is 5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide is NCC1CCC(C(=O)NCCN2CCSCC2)O1.
What is the InChIKey of 5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide?
The InChIKey is SSOFQMJTOKPZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c13-9-10-1-2-11(17-10)12(16)14-3-4-15-5-7-18-8-6-15/h10-11H,1-9,13H2,(H,14,16).
What are the key properties of 5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide?
5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide has a molecular weight of 273.40 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide is sourced from PubChem (CID 106325306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).