(4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide

C22H33N3O2S — CID 95107110

IUPAC(4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCCN1CCCC1)[C@@H]1CN(C(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C22H33N3O2S/c26-20(23-11-7-14-24-12-4-5-13-24)18-16-25(21(27)19-8-6-15-28-19)17-22(18)9-2-1-3-10-22/h6,8,15,18H,1-5,7,9-14,16-17H2,(H,23,26)/t18-/m0/s1
InChIKeyVEIZUICXXIVMAQ-SFHVURJKSA-N
MW403.59 g/mol
LogP3.37
Rot. Bonds6

About (4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide

(4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 95107110) has the molecular formula C22H33N3O2S and a molecular weight of 403.59 g/mol. Its IUPAC name is (4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID95107110
Molecular FormulaC22H33N3O2S
Molecular Weight403.59 g/mol
Exact Mass403.23
IUPAC Name(4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCCN1CCCC1)[C@@H]1CN(C(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C22H33N3O2S/c26-20(23-11-7-14-24-12-4-5-13-24)18-16-25(21(27)19-8-6-15-28-19)17-22(18)9-2-1-3-10-22/h6,8,15,18H,1-5,7,9-14,16-17H2,(H,23,26)/t18-/m0/s1
InChIKeyVEIZUICXXIVMAQ-SFHVURJKSA-N
XLogP3.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.59
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184682
N-(3-pyrazol-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184696
(4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95107023
(4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105953
N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511031
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 47088317
methyl 3-[(2-benzoyl-2-azaspiro[4.5]decane-4-carbonyl)amino]propanoate
CID 53184577
N-(3-cyclopentylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057667
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-(2-piperidin-1-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 53183521
(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019515

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 95107110) is (4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCCCN1CCCC1)[C@@H]1CN(C(=O)c2cccs2)CC12CCCCC2.
What is the InChIKey of (4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is VEIZUICXXIVMAQ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H33N3O2S/c26-20(23-11-7-14-24-12-4-5-13-24)18-16-25(21(27)19-8-6-15-28-19)17-22(18)9-2-1-3-10-22/h6,8,15,18H,1-5,7,9-14,16-17H2,(H,23,26)/t18-/m0/s1.
What are the key properties of (4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
(4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 403.59 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 95107110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).