N-(2-imidazol-1-ylcyclopentyl)thiomorpholine-3-carboxamide

C13H20N4OS — CID 82908522

IUPACN-(2-imidazol-1-ylcyclopentyl)thiomorpholine-3-carboxamide
SMILESO=C(NC1CCCC1n1ccnc1)C1CSCCN1
InChIInChI=1S/C13H20N4OS/c18-13(11-8-19-7-5-15-11)16-10-2-1-3-12(10)17-6-4-14-9-17/h4,6,9-12,15H,1-3,5,7-8H2,(H,16,18)
InChIKeyKBVMFVZSANCJII-UHFFFAOYSA-N
MW280.40 g/mol
LogP0.80
Rot. Bonds3

About N-(2-imidazol-1-ylcyclopentyl)thiomorpholine-3-carboxamide

N-(2-imidazol-1-ylcyclopentyl)thiomorpholine-3-carboxamide (PubChem CID 82908522) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-(2-imidazol-1-ylcyclopentyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylcyclopentyl)thiomorpholine-3-carboxamide
PubChem CID82908522
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-(2-imidazol-1-ylcyclopentyl)thiomorpholine-3-carboxamide
SMILESO=C(NC1CCCC1n1ccnc1)C1CSCCN1
InChIInChI=1S/C13H20N4OS/c18-13(11-8-19-7-5-15-11)16-10-2-1-3-12(10)17-6-4-14-9-17/h4,6,9-12,15H,1-3,5,7-8H2,(H,16,18)
InChIKeyKBVMFVZSANCJII-UHFFFAOYSA-N
XLogP0.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylcyclopentyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylcyclopentyl)thiomorpholine-3-carboxamide (CID 82908522) is N-(2-imidazol-1-ylcyclopentyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylcyclopentyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylcyclopentyl)thiomorpholine-3-carboxamide is O=C(NC1CCCC1n1ccnc1)C1CSCCN1.
What is the InChIKey of N-(2-imidazol-1-ylcyclopentyl)thiomorpholine-3-carboxamide?
The InChIKey is KBVMFVZSANCJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c18-13(11-8-19-7-5-15-11)16-10-2-1-3-12(10)17-6-4-14-9-17/h4,6,9-12,15H,1-3,5,7-8H2,(H,16,18).
What are the key properties of N-(2-imidazol-1-ylcyclopentyl)thiomorpholine-3-carboxamide?
N-(2-imidazol-1-ylcyclopentyl)thiomorpholine-3-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylcyclopentyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).