N-cyclopropyl-3-[[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl]sulfonyl]benzamide

C17H21N3O5S — CID 97193749

IUPACN-cyclopropyl-3-[[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl]sulfonyl]benzamide
SMILESCN1C[C@]2(CCN(S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)C2)OC1=O
InChIInChI=1S/C17H21N3O5S/c1-19-10-17(25-16(19)22)7-8-20(11-17)26(23,24)14-4-2-3-12(9-14)15(21)18-13-5-6-13/h2-4,9,13H,5-8,10-11H2,1H3,(H,18,21)/t17-/m0/s1
InChIKeyJXAUEEUTMLZMII-KRWDZBQOSA-N
MW379.44 g/mol
LogP0.79
Rot. Bonds4

About N-cyclopropyl-3-[[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl]sulfonyl]benzamide

N-cyclopropyl-3-[[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl]sulfonyl]benzamide (PubChem CID 97193749) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl]sulfonyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl]sulfonyl]benzamide
PubChem CID97193749
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC NameN-cyclopropyl-3-[[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl]sulfonyl]benzamide
SMILESCN1C[C@]2(CCN(S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)C2)OC1=O
InChIInChI=1S/C17H21N3O5S/c1-19-10-17(25-16(19)22)7-8-20(11-17)26(23,24)14-4-2-3-12(9-14)15(21)18-13-5-6-13/h2-4,9,13H,5-8,10-11H2,1H3,(H,18,21)/t17-/m0/s1
InChIKeyJXAUEEUTMLZMII-KRWDZBQOSA-N
XLogP0.79
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 4-[3-(cyclopropylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
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(3S,4S)-1-[3-(cyclopropylcarbamoyl)phenyl]sulfonyl-4-methylpyrrolidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl]sulfonyl]benzamide?
The IUPAC name of N-cyclopropyl-3-[[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl]sulfonyl]benzamide (CID 97193749) is N-cyclopropyl-3-[[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl]sulfonyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl]sulfonyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl]sulfonyl]benzamide is CN1C[C@]2(CCN(S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)C2)OC1=O.
What is the InChIKey of N-cyclopropyl-3-[[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl]sulfonyl]benzamide?
The InChIKey is JXAUEEUTMLZMII-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-19-10-17(25-16(19)22)7-8-20(11-17)26(23,24)14-4-2-3-12(9-14)15(21)18-13-5-6-13/h2-4,9,13H,5-8,10-11H2,1H3,(H,18,21)/t17-/m0/s1.
What are the key properties of N-cyclopropyl-3-[[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl]sulfonyl]benzamide?
N-cyclopropyl-3-[[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl]sulfonyl]benzamide has a molecular weight of 379.44 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl]sulfonyl]benzamide is sourced from PubChem (CID 97193749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).