1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide

C19H28N4O2S — CID 70737784

IUPAC1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
SMILESC=CCN1CCC2(CCC1=O)CN(C(=O)NCc1cccs1)CCN2C
InChIInChI=1S/C19H28N4O2S/c1-3-9-22-10-8-19(7-6-17(22)24)15-23(12-11-21(19)2)18(25)20-14-16-5-4-13-26-16/h3-5,13H,1,6-12,14-15H2,2H3,(H,20,25)
InChIKeyKMYBKQAHTVZKBN-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.14
Rot. Bonds4

About 1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide

1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (PubChem CID 70737784) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.

Molecular Properties

Compound Name1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
PubChem CID70737784
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
SMILESC=CCN1CCC2(CCC1=O)CN(C(=O)NCc1cccs1)CCN2C
InChIInChI=1S/C19H28N4O2S/c1-3-9-22-10-8-19(7-6-17(22)24)15-23(12-11-21(19)2)18(25)20-14-16-5-4-13-26-16/h3-5,13H,1,6-12,14-15H2,2H3,(H,20,25)
InChIKeyKMYBKQAHTVZKBN-UHFFFAOYSA-N
XLogP2.14
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97112919
(6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97130965
N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 70746578
(6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97146455
(6S)-1-methyl-4-(3-phenylpropyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97132773
(6R)-4-(furan-2-carbonyl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97150981
1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70715822
(6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97191054
(6R)-1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789048
(6S)-10-(2-hydroxyethyl)-1-methyl-4-(thiophene-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97127731
4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70731372
4-(1H-imidazol-2-ylmethyl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70759071

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The IUPAC name of 1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (CID 70737784) is 1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.
What is the SMILES notation for 1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The canonical SMILES for 1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is C=CCN1CCC2(CCC1=O)CN(C(=O)NCc1cccs1)CCN2C.
What is the InChIKey of 1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The InChIKey is KMYBKQAHTVZKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-3-9-22-10-8-19(7-6-17(22)24)15-23(12-11-21(19)2)18(25)20-14-16-5-4-13-26-16/h3-5,13H,1,6-12,14-15H2,2H3,(H,20,25).
What are the key properties of 1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide has a molecular weight of 376.53 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is sourced from PubChem (CID 70737784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).