2-cyclopropyl-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide

C19H27N3O2S — CID 72900564

IUPAC2-cyclopropyl-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESO=C(NCCc1cccs1)N1CCCC2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C19H27N3O2S/c23-17-6-9-19(14-22(17)15-4-5-15)8-2-11-21(13-19)18(24)20-10-7-16-3-1-12-25-16/h1,3,12,15H,2,4-11,13-14H2,(H,20,24)
InChIKeyXCWAYCWSJYPIQP-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.87
Rot. Bonds4

About 2-cyclopropyl-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide

2-cyclopropyl-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 72900564) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-cyclopropyl-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID72900564
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name2-cyclopropyl-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESO=C(NCCc1cccs1)N1CCCC2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C19H27N3O2S/c23-17-6-9-19(14-22(17)15-4-5-15)8-2-11-21(13-19)18(24)20-10-7-16-3-1-12-25-16/h1,3,12,15H,2,4-11,13-14H2,(H,20,24)
InChIKeyXCWAYCWSJYPIQP-UHFFFAOYSA-N
XLogP2.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of 2-cyclopropyl-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide (CID 72900564) is 2-cyclopropyl-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for 2-cyclopropyl-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for 2-cyclopropyl-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide is O=C(NCCc1cccs1)N1CCCC2(CCC(=O)N(C3CC3)C2)C1.
What is the InChIKey of 2-cyclopropyl-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is XCWAYCWSJYPIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c23-17-6-9-19(14-22(17)15-4-5-15)8-2-11-21(13-19)18(24)20-10-7-16-3-1-12-25-16/h1,3,12,15H,2,4-11,13-14H2,(H,20,24).
What are the key properties of 2-cyclopropyl-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide?
2-cyclopropyl-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 72900564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).