2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide

C8H15N3O3S — CID 142458772

IUPAC2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide
SMILESCCS(=O)(=O)N1CC2(CN(C(N)=O)C2)C1
InChIInChI=1S/C8H15N3O3S/c1-2-15(13,14)11-5-8(6-11)3-10(4-8)7(9)12/h2-6H2,1H3,(H2,9,12)
InChIKeyVPQOTIMVNWQMQL-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.97
Rot. Bonds2

About 2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide

2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide (PubChem CID 142458772) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound Name2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide
PubChem CID142458772
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide
SMILESCCS(=O)(=O)N1CC2(CN(C(N)=O)C2)C1
InChIInChI=1S/C8H15N3O3S/c1-2-15(13,14)11-5-8(6-11)3-10(4-8)7(9)12/h2-6H2,1H3,(H2,9,12)
InChIKeyVPQOTIMVNWQMQL-UHFFFAOYSA-N
XLogP-0.97
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butane;6-methyl-2-azaspiro[3.3]heptane-2-carboxamide
CID 144515655
tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate
CID 162745655
2-azaspiro[3.5]nonane-2-carboxamide
CID 130620195
2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 90537488
6-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide
CID 89399831
1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 168923326
3-amino-3-ethylpyrrolidine-1-carboxamide
CID 163727022
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethyl 4-ethylsulfonyl-1,4-diazepane-1-carboxylate
CID 110799183
1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 155062113
(7-ethylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone
CID 97392729
butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175978634

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of 2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide (CID 142458772) is 2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for 2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for 2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide is CCS(=O)(=O)N1CC2(CN(C(N)=O)C2)C1.
What is the InChIKey of 2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide?
The InChIKey is VPQOTIMVNWQMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-2-15(13,14)11-5-8(6-11)3-10(4-8)7(9)12/h2-6H2,1H3,(H2,9,12).
What are the key properties of 2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide?
2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide has a molecular weight of 233.29 g/mol, XLogP of -0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 142458772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).