9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C18H24N4O4S — CID 155875708

IUPAC9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)C1=NOC2(CCCN(S(=O)(=O)C3CC3)C2)C1
InChIInChI=1S/C18H24N4O4S/c1-21(12-14-5-2-3-9-19-14)17(23)16-11-18(26-20-16)8-4-10-22(13-18)27(24,25)15-6-7-15/h2-3,5,9,15H,4,6-8,10-13H2,1H3
InChIKeyOFEVFMONSNMEFB-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.14
Rot. Bonds5

About 9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 155875708) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID155875708
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)C1=NOC2(CCCN(S(=O)(=O)C3CC3)C2)C1
InChIInChI=1S/C18H24N4O4S/c1-21(12-14-5-2-3-9-19-14)17(23)16-11-18(26-20-16)8-4-10-22(13-18)27(24,25)15-6-7-15/h2-3,5,9,15H,4,6-8,10-13H2,1H3
InChIKeyOFEVFMONSNMEFB-UHFFFAOYSA-N
XLogP1.14
TPSA92.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134075221
N-methyl-7-[(4-methylphenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134072451
(5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491661
7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 118739752
(2R,3aS,7aS)-6-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155877537
9-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131682582
9-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134079584
9-cyclopropylsulfonyl-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 97450461
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459
(2S,3S)-5-(4-ethylphenyl)sulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493093
N-methyl-5-(2-methylpropylsulfonyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131658281
cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 124818809

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of 9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 155875708) is 9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for 9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for 9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is CN(Cc1ccccn1)C(=O)C1=NOC2(CCCN(S(=O)(=O)C3CC3)C2)C1.
What is the InChIKey of 9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is OFEVFMONSNMEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-21(12-14-5-2-3-9-19-14)17(23)16-11-18(26-20-16)8-4-10-22(13-18)27(24,25)15-6-7-15/h2-3,5,9,15H,4,6-8,10-13H2,1H3.
What are the key properties of 9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 155875708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).