2-ethyl-N-methyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

C13H24N4O4S — CID 118738915

IUPAC2-ethyl-N-methyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCCN1CC2(CC1=O)CN(C(=O)NC)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C13H24N4O4S/c1-4-15-8-13(7-11(15)18)9-16(12(19)14-2)5-6-17(10-13)22(3,20)21/h4-10H2,1-3H3,(H,14,19)
InChIKeyHUXROCATFBDYMT-UHFFFAOYSA-N
MW332.43 g/mol
LogP-0.86
Rot. Bonds2

About 2-ethyl-N-methyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

2-ethyl-N-methyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 118738915) has the molecular formula C13H24N4O4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-ethyl-N-methyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID118738915
Molecular FormulaC13H24N4O4S
Molecular Weight332.43 g/mol
Exact Mass332.15
IUPAC Name2-ethyl-N-methyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCCN1CC2(CC1=O)CN(C(=O)NC)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C13H24N4O4S/c1-4-15-8-13(7-11(15)18)9-16(12(19)14-2)5-6-17(10-13)22(3,20)21/h4-10H2,1-3H3,(H,14,19)
InChIKeyHUXROCATFBDYMT-UHFFFAOYSA-N
XLogP-0.86
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360273
2-ethyl-10-(4-methoxybenzoyl)-7-methylsulfonyl-2,7,10-triazaspiro[4.6]undecan-3-one
CID 134076922
N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 131639855
2-ethyl-7-(2-methylpropanoyl)-10-propan-2-yl-2,7,10-triazaspiro[4.6]undecan-3-one
CID 155876784
1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 155872480
10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131660635
(5S)-2-ethyl-10-(4-methoxybenzoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97439069
10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 131647730
(5S)-10-acetyl-2-ethyl-7-(oxane-4-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360196
(5R)-2-ethyl-3-oxo-N-phenyl-10-(thiophen-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97360284
(5S)-10-acetyl-7-(4-chlorobenzoyl)-2-ethyl-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97439032
10-acetyl-2-ethyl-7-(1H-pyrrole-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131696238

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of 2-ethyl-N-methyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 118738915) is 2-ethyl-N-methyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for 2-ethyl-N-methyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for 2-ethyl-N-methyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is CCN1CC2(CC1=O)CN(C(=O)NC)CCN(S(C)(=O)=O)C2.
What is the InChIKey of 2-ethyl-N-methyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is HUXROCATFBDYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4S/c1-4-15-8-13(7-11(15)18)9-16(12(19)14-2)5-6-17(10-13)22(3,20)21/h4-10H2,1-3H3,(H,14,19).
What are the key properties of 2-ethyl-N-methyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
2-ethyl-N-methyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 332.43 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 118738915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).