3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H25N3OS — CID 103813669

IUPAC3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCCN1CCSCC1
InChIInChI=1S/C14H25N3OS/c15-13-11-2-1-10(9-11)12(13)14(18)16-3-4-17-5-7-19-8-6-17/h10-13H,1-9,15H2,(H,16,18)
InChIKeyLSCJFACEUIOICG-UHFFFAOYSA-N
MW283.44 g/mol
LogP0.52
Rot. Bonds4

About 3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 103813669) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID103813669
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCCN1CCSCC1
InChIInChI=1S/C14H25N3OS/c15-13-11-2-1-10(9-11)12(13)14(18)16-3-4-17-5-7-19-8-6-17/h10-13H,1-9,15H2,(H,16,18)
InChIKeyLSCJFACEUIOICG-UHFFFAOYSA-N
XLogP0.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 103813669) is 3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NCCN1CCSCC1.
What is the InChIKey of 3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LSCJFACEUIOICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c15-13-11-2-1-10(9-11)12(13)14(18)16-3-4-17-5-7-19-8-6-17/h10-13H,1-9,15H2,(H,16,18).
What are the key properties of 3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 283.44 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 103813669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).