2-ethyl-N,N-dimethyl-3-oxo-10-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

C18H26N4O3S — CID 118739536

IUPAC2-ethyl-N,N-dimethyl-3-oxo-10-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCCN1CC2(CC1=O)CN(C(=O)c1cccs1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C18H26N4O3S/c1-4-20-11-18(10-15(20)23)12-21(16(24)14-6-5-9-26-14)7-8-22(13-18)17(25)19(2)3/h5-6,9H,4,7-8,10-13H2,1-3H3
InChIKeyCUOQUVNARLRMEK-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.43
Rot. Bonds2

About 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

2-ethyl-N,N-dimethyl-3-oxo-10-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (PubChem CID 118739536) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.

Molecular Properties

Compound Name2-ethyl-N,N-dimethyl-3-oxo-10-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
PubChem CID118739536
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name2-ethyl-N,N-dimethyl-3-oxo-10-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCCN1CC2(CC1=O)CN(C(=O)c1cccs1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C18H26N4O3S/c1-4-20-11-18(10-15(20)23)12-21(16(24)14-6-5-9-26-14)7-8-22(13-18)17(25)19(2)3/h5-6,9H,4,7-8,10-13H2,1-3H3
InChIKeyCUOQUVNARLRMEK-UHFFFAOYSA-N
XLogP1.43
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The IUPAC name of 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (CID 118739536) is 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.
What is the SMILES notation for 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The canonical SMILES for 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is CCN1CC2(CC1=O)CN(C(=O)c1cccs1)CCN(C(=O)N(C)C)C2.
What is the InChIKey of 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The InChIKey is CUOQUVNARLRMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-4-20-11-18(10-15(20)23)12-21(16(24)14-6-5-9-26-14)7-8-22(13-18)17(25)19(2)3/h5-6,9H,4,7-8,10-13H2,1-3H3.
What are the key properties of 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
2-ethyl-N,N-dimethyl-3-oxo-10-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is sourced from PubChem (CID 118739536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).