5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide

C21H25N3O2S — CID 164631595

IUPAC5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c1
InChIInChI=1S/C21H25N3O2S/c22-19(25)17-11-18(27-13-17)20(26)24-10-8-21(15-24)7-4-9-23(14-21)12-16-5-2-1-3-6-16/h1-3,5-6,11,13H,4,7-10,12,14-15H2,(H2,22,25)/t21-/m1/s1
InChIKeyXJAHRISABDOHME-OAQYLSRUSA-N
MW383.52 g/mol
LogP2.98
Rot. Bonds4

About 5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide

5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide (PubChem CID 164631595) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide
PubChem CID164631595
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c1
InChIInChI=1S/C21H25N3O2S/c22-19(25)17-11-18(27-13-17)20(26)24-10-8-21(15-24)7-4-9-23(14-21)12-16-5-2-1-3-6-16/h1-3,5-6,11,13H,4,7-10,12,14-15H2,(H2,22,25)/t21-/m1/s1
InChIKeyXJAHRISABDOHME-OAQYLSRUSA-N
XLogP2.98
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide (CID 164631595) is 5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide is NC(=O)c1csc(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c1.
What is the InChIKey of 5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide?
The InChIKey is XJAHRISABDOHME-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25N3O2S/c22-19(25)17-11-18(27-13-17)20(26)24-10-8-21(15-24)7-4-9-23(14-21)12-16-5-2-1-3-6-16/h1-3,5-6,11,13H,4,7-10,12,14-15H2,(H2,22,25)/t21-/m1/s1.
What are the key properties of 5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide?
5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide is sourced from PubChem (CID 164631595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).