N-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide

C17H23N3O5S — CID 19045507

IUPACN-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide
SMILESCC(=O)NN1CCC2(CC1)Oc1ccc(NS(C)(=O)=O)cc1C(=O)C2C
InChIInChI=1S/C17H23N3O5S/c1-11-16(22)14-10-13(19-26(3,23)24)4-5-15(14)25-17(11)6-8-20(9-7-17)18-12(2)21/h4-5,10-11,19H,6-9H2,1-3H3,(H,18,21)
InChIKeyGXPINFFEHVOWFG-UHFFFAOYSA-N
MW381.45 g/mol
LogP1.15
Rot. Bonds3

About N-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide

N-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide (PubChem CID 19045507) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide
PubChem CID19045507
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC NameN-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide
SMILESCC(=O)NN1CCC2(CC1)Oc1ccc(NS(C)(=O)=O)cc1C(=O)C2C
InChIInChI=1S/C17H23N3O5S/c1-11-16(22)14-10-13(19-26(3,23)24)4-5-15(14)25-17(11)6-8-20(9-7-17)18-12(2)21/h4-5,10-11,19H,6-9H2,1-3H3,(H,18,21)
InChIKeyGXPINFFEHVOWFG-UHFFFAOYSA-N
XLogP1.15
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methyl-4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
CID 19045243
N-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide
CID 3055476
N-[1'-[2-(4-acetylphenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
CID 19045542
N-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide
CID 19045333
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide
CID 110412787
N-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
CID 19045558
N-[(2S,3R)-2-[(dimethylamino)methyl]-3,5-dimethyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
CID 71760300
N-[(2R,3S)-3,5-dimethyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
CID 71759004
N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride
CID 67705289
N-[4-hydroxyimino-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
CID 86746769
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193
N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 2788662

Frequently Asked Questions

What is the IUPAC name of N-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide?
The IUPAC name of N-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide (CID 19045507) is N-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide.
What is the SMILES notation for N-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide?
The canonical SMILES for N-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide is CC(=O)NN1CCC2(CC1)Oc1ccc(NS(C)(=O)=O)cc1C(=O)C2C.
What is the InChIKey of N-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide?
The InChIKey is GXPINFFEHVOWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-11-16(22)14-10-13(19-26(3,23)24)4-5-15(14)25-17(11)6-8-20(9-7-17)18-12(2)21/h4-5,10-11,19H,6-9H2,1-3H3,(H,18,21).
What are the key properties of N-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide?
N-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide has a molecular weight of 381.45 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(methanesulfonamido)-3-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]acetamide is sourced from PubChem (CID 19045507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).