N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide

C17H25N3O2S — CID 97393811

IUPACN-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
SMILESCNC(=O)CN1CCC2(CCCN(C(=O)c3ccsc3)C2)CC1
InChIInChI=1S/C17H25N3O2S/c1-18-15(21)11-19-8-5-17(6-9-19)4-2-7-20(13-17)16(22)14-3-10-23-12-14/h3,10,12H,2,4-9,11,13H2,1H3,(H,18,21)
InChIKeyPZIUOHQGACBADT-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.81
Rot. Bonds3

About N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide

N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide (PubChem CID 97393811) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
PubChem CID97393811
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
SMILESCNC(=O)CN1CCC2(CCCN(C(=O)c3ccsc3)C2)CC1
InChIInChI=1S/C17H25N3O2S/c1-18-15(21)11-19-8-5-17(6-9-19)4-2-7-20(13-17)16(22)14-3-10-23-12-14/h3,10,12H,2,4-9,11,13H2,1H3,(H,18,21)
InChIKeyPZIUOHQGACBADT-UHFFFAOYSA-N
XLogP1.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide
CID 97393813
N-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide
CID 134070826
(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 115874944
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694
(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155856040
[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 97450078
[11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
CID 131661217
N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 131697076
[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97369944
[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-thiophen-3-ylmethanone
CID 99972021
2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide
CID 97393800
thiophen-3-yl-[2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155829071

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide?
The IUPAC name of N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide (CID 97393811) is N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide is CNC(=O)CN1CCC2(CCCN(C(=O)c3ccsc3)C2)CC1.
What is the InChIKey of N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide?
The InChIKey is PZIUOHQGACBADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-18-15(21)11-19-8-5-17(6-9-19)4-2-7-20(13-17)16(22)14-3-10-23-12-14/h3,10,12H,2,4-9,11,13H2,1H3,(H,18,21).
What are the key properties of N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide?
N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide has a molecular weight of 335.47 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide is sourced from PubChem (CID 97393811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).