N-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide

C15H25N5OS — CID 122561713

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide
SMILESO=C(NCCc1ncc[nH]1)N1CCC(N2CCSCC2)CC1
InChIInChI=1S/C15H25N5OS/c21-15(18-4-1-14-16-5-6-17-14)20-7-2-13(3-8-20)19-9-11-22-12-10-19/h5-6,13H,1-4,7-12H2,(H,16,17)(H,18,21)
InChIKeySZYAMSGODFVACE-UHFFFAOYSA-N
MW323.47 g/mol
LogP1.17
Rot. Bonds4

About N-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide (PubChem CID 122561713) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide
PubChem CID122561713
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide
SMILESO=C(NCCc1ncc[nH]1)N1CCC(N2CCSCC2)CC1
InChIInChI=1S/C15H25N5OS/c21-15(18-4-1-14-16-5-6-17-14)20-7-2-13(3-8-20)19-9-11-22-12-10-19/h5-6,13H,1-4,7-12H2,(H,16,17)(H,18,21)
InChIKeySZYAMSGODFVACE-UHFFFAOYSA-N
XLogP1.17
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide (CID 122561713) is N-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide is O=C(NCCc1ncc[nH]1)N1CCC(N2CCSCC2)CC1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide?
The InChIKey is SZYAMSGODFVACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c21-15(18-4-1-14-16-5-6-17-14)20-7-2-13(3-8-20)19-9-11-22-12-10-19/h5-6,13H,1-4,7-12H2,(H,16,17)(H,18,21).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide has a molecular weight of 323.47 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 122561713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).