(5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C16H22N4O4S — CID 97491762

IUPAC(5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCCCCS(=O)(=O)N1CC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1
InChIInChI=1S/C16H22N4O4S/c1-2-3-9-25(22,23)20-8-6-16(12-20)10-14(19-24-16)15(21)18-13-5-4-7-17-11-13/h4-5,7,11H,2-3,6,8-10,12H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeySYTGTKPIJCOKPC-MRXNPFEDSA-N
MW366.44 g/mol
LogP1.37
Rot. Bonds6

About (5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491762) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is (5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97491762
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name(5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCCCCS(=O)(=O)N1CC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1
InChIInChI=1S/C16H22N4O4S/c1-2-3-9-25(22,23)20-8-6-16(12-20)10-14(19-24-16)15(21)18-13-5-4-7-17-11-13/h4-5,7,11H,2-3,6,8-10,12H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeySYTGTKPIJCOKPC-MRXNPFEDSA-N
XLogP1.37
TPSA100.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-9-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97490813
9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131647681
(5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490790
(5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 98778326
7-(oxolan-3-yl)-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131655216
(5R)-7-[(3R)-oxolan-3-yl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 124522025
N-pyridin-3-yl-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131663228
(5S)-9-(3-methylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97490769
9-(3,5-dimethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134075172
7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 118739752
9-[(3,4-difluorophenyl)methyl]-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155871183
formic acid;9-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155872974

Frequently Asked Questions

What is the IUPAC name of (5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491762) is (5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is CCCCS(=O)(=O)N1CC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1.
What is the InChIKey of (5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is SYTGTKPIJCOKPC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-2-3-9-25(22,23)20-8-6-16(12-20)10-14(19-24-16)15(21)18-13-5-4-7-17-11-13/h4-5,7,11H,2-3,6,8-10,12H2,1H3,(H,18,21)/t16-/m1/s1.
What are the key properties of (5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-butylsulfonyl-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).