N-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide

C18H25FN2O4S — CID 155870715

IUPACN-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide
SMILESO=C(CCF)N1CC[C@]2(CCC[C@H](CNS(=O)(=O)c3ccccc3)O2)C1
InChIInChI=1S/C18H25FN2O4S/c19-11-8-17(22)21-12-10-18(14-21)9-4-5-15(25-18)13-20-26(23,24)16-6-2-1-3-7-16/h1-3,6-7,15,20H,4-5,8-14H2/t15-,18-/m1/s1
InChIKeyWGMQFYRDZDFNOX-CRAIPNDOSA-N
MW384.47 g/mol
LogP1.86
Rot. Bonds6

About N-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide

N-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide (PubChem CID 155870715) has the molecular formula C18H25FN2O4S and a molecular weight of 384.47 g/mol. Its IUPAC name is N-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide
PubChem CID155870715
Molecular FormulaC18H25FN2O4S
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC NameN-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide
SMILESO=C(CCF)N1CC[C@]2(CCC[C@H](CNS(=O)(=O)c3ccccc3)O2)C1
InChIInChI=1S/C18H25FN2O4S/c19-11-8-17(22)21-12-10-18(14-21)9-4-5-15(25-18)13-20-26(23,24)16-6-2-1-3-7-16/h1-3,6-7,15,20H,4-5,8-14H2/t15-,18-/m1/s1
InChIKeyWGMQFYRDZDFNOX-CRAIPNDOSA-N
XLogP1.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide (CID 155870715) is N-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide is O=C(CCF)N1CC[C@]2(CCC[C@H](CNS(=O)(=O)c3ccccc3)O2)C1.
What is the InChIKey of N-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide?
The InChIKey is WGMQFYRDZDFNOX-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H25FN2O4S/c19-11-8-17(22)21-12-10-18(14-21)9-4-5-15(25-18)13-20-26(23,24)16-6-2-1-3-7-16/h1-3,6-7,15,20H,4-5,8-14H2/t15-,18-/m1/s1.
What are the key properties of N-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide?
N-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide has a molecular weight of 384.47 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 155870715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).