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

C18H28N4O2S — CID 131654839

IUPAC2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCCN1CC2(CC1=O)CN(Cc1ccsc1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C18H28N4O2S/c1-4-21-13-18(9-16(21)23)12-20(10-15-5-8-25-11-15)6-7-22(14-18)17(24)19(2)3/h5,8,11H,4,6-7,9-10,12-14H2,1-3H3
InChIKeyBHYSPCIAWBPWIO-UHFFFAOYSA-N
MW364.52 g/mol
LogP1.79
Rot. Bonds3

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

2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (PubChem CID 131654839) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.

Molecular Properties

Compound Name2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
PubChem CID131654839
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCCN1CC2(CC1=O)CN(Cc1ccsc1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C18H28N4O2S/c1-4-21-13-18(9-16(21)23)12-20(10-15-5-8-25-11-15)6-7-22(14-18)17(24)19(2)3/h5,8,11H,4,6-7,9-10,12-14H2,1-3H3
InChIKeyBHYSPCIAWBPWIO-UHFFFAOYSA-N
XLogP1.79
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide with MolForge

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Related Compounds

2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155829955
(5S)-10-(4-chlorobenzoyl)-2-ethyl-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97360282
2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155833183
10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131660635
(5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360273
(5S)-7-acetyl-2-ethyl-10-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360175
(5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360161
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
2-ethyl-7-(2-methylpropanoyl)-10-[(5-methylthiophen-2-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155841072
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 6733780
(6S)-2-(3-hydroxypropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96578434

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The IUPAC name of 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (CID 131654839) is 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.
What is the SMILES notation for 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The canonical SMILES for 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is CCN1CC2(CC1=O)CN(Cc1ccsc1)CCN(C(=O)N(C)C)C2.
What is the InChIKey of 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The InChIKey is BHYSPCIAWBPWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-4-21-13-18(9-16(21)23)12-20(10-15-5-8-25-11-15)6-7-22(14-18)17(24)19(2)3/h5,8,11H,4,6-7,9-10,12-14H2,1-3H3.
What are the key properties of 2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide has a molecular weight of 364.52 g/mol, XLogP of 1.79, 3 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-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is sourced from PubChem (CID 131654839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).