N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide

C16H24N2O5S — CID 97486654

IUPACN-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCC3(CCOC[C@H]3NS(C)(=O)=O)CC2)o1
InChIInChI=1S/C16H24N2O5S/c1-12-3-4-13(23-12)15(19)18-8-5-16(6-9-18)7-10-22-11-14(16)17-24(2,20)21/h3-4,14,17H,5-11H2,1-2H3/t14-/m1/s1
InChIKeyWZJHWJFFKXTQIH-CQSZACIVSA-N
MW356.44 g/mol
LogP1.15
Rot. Bonds3

About N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide

N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide (PubChem CID 97486654) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
PubChem CID97486654
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCC3(CCOC[C@H]3NS(C)(=O)=O)CC2)o1
InChIInChI=1S/C16H24N2O5S/c1-12-3-4-13(23-12)15(19)18-8-5-16(6-9-18)7-10-22-11-14(16)17-24(2,20)21/h3-4,14,17H,5-11H2,1-2H3/t14-/m1/s1
InChIKeyWZJHWJFFKXTQIH-CQSZACIVSA-N
XLogP1.15
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide with MolForge

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Related Compounds

N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374923
N-[9-[(4-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155834459
N-[9-(pyridine-3-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155825972
N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
CID 131657367
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184451
N-[(5R)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
CID 97483403
(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 125215989
N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide
CID 155871713
N-[2-[(3aR,7aS)-5-(5-methylfuran-2-carbonyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide
CID 124795944
(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 80661568
N'-hydroxy-4-methyl-1-(5-methylfuran-2-carbonyl)piperidine-4-carboximidamide
CID 107162414
N-[[(1S,3aR,7aR)-5-(5-methylfuran-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 97461784

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide?
The IUPAC name of N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide (CID 97486654) is N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide.
What is the SMILES notation for N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide?
The canonical SMILES for N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide is Cc1ccc(C(=O)N2CCC3(CCOC[C@H]3NS(C)(=O)=O)CC2)o1.
What is the InChIKey of N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide?
The InChIKey is WZJHWJFFKXTQIH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-12-3-4-13(23-12)15(19)18-8-5-16(6-9-18)7-10-22-11-14(16)17-24(2,20)21/h3-4,14,17H,5-11H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide?
N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide has a molecular weight of 356.44 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide is sourced from PubChem (CID 97486654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).