N-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide

C20H29FN2O3S — CID 98897005

IUPACN-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
SMILESCc1ccc(F)c(CN2CCC3(CC2)C[C@H](NS(=O)(=O)C2CC2)CCO3)c1
InChIInChI=1S/C20H29FN2O3S/c1-15-2-5-19(21)16(12-15)14-23-9-7-20(8-10-23)13-17(6-11-26-20)22-27(24,25)18-3-4-18/h2,5,12,17-18,22H,3-4,6-11,13-14H2,1H3/t17-/m1/s1
InChIKeyVSTYXIFRMWVEKS-QGZVFWFLSA-N
MW396.53 g/mol
LogP2.73
Rot. Bonds5

About N-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide

N-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide (PubChem CID 98897005) has the molecular formula C20H29FN2O3S and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
PubChem CID98897005
Molecular FormulaC20H29FN2O3S
Molecular Weight396.53 g/mol
Exact Mass396.19
IUPAC NameN-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
SMILESCc1ccc(F)c(CN2CCC3(CC2)C[C@H](NS(=O)(=O)C2CC2)CCO3)c1
InChIInChI=1S/C20H29FN2O3S/c1-15-2-5-19(21)16(12-15)14-23-9-7-20(8-10-23)13-17(6-11-26-20)22-27(24,25)18-3-4-18/h2,5,12,17-18,22H,3-4,6-11,13-14H2,1H3/t17-/m1/s1
InChIKeyVSTYXIFRMWVEKS-QGZVFWFLSA-N
XLogP2.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide with MolForge

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Related Compounds

N-Benzyl-9-(4-fluorobenzenesulfonyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908256
N-benzyl-N-[9-(isopropylsulfonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]-N-methylamine
CID 91919097
N-benzyl-4-[cyclopropyl(ethylsulfonyl)amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919941
N-[9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
CID 131641250
N-[9-[(3-fluoro-2-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
CID 131650057
N-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 133137059
4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-amine
CID 118232535
4-[3-Fluoro-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]oxan-4-amine
CID 123437580
3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]propan-1-amine
CID 139542233
4-[4-[[(6R)-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]-3-fluorophenyl]oxan-4-amine
CID 139542408
4-[4-[(1,1-Dioxothiazinan-2-yl)methyl]-3-fluorophenyl]oxan-4-amine
CID 144883420
4-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-amine
CID 145227074

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide (CID 98897005) is N-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide is Cc1ccc(F)c(CN2CCC3(CC2)C[C@H](NS(=O)(=O)C2CC2)CCO3)c1.
What is the InChIKey of N-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
The InChIKey is VSTYXIFRMWVEKS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29FN2O3S/c1-15-2-5-19(21)16(12-15)14-23-9-7-20(8-10-23)13-17(6-11-26-20)22-27(24,25)18-3-4-18/h2,5,12,17-18,22H,3-4,6-11,13-14H2,1H3/t17-/m1/s1.
What are the key properties of N-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
N-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-9-[(2-fluoro-5-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 98897005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).