N-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide

C19H27FN2O3S — CID 98896126

IUPACN-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(N[C@H]1CCOC2(CCN(Cc3ccccc3F)CC2)C1)C1CC1
InChIInChI=1S/C19H27FN2O3S/c20-18-4-2-1-3-15(18)14-22-10-8-19(9-11-22)13-16(7-12-25-19)21-26(23,24)17-5-6-17/h1-4,16-17,21H,5-14H2/t16-/m0/s1
InChIKeyLOCLUGYQSCZHAC-INIZCTEOSA-N
MW382.50 g/mol
LogP2.42
Rot. Bonds5

About N-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide

N-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide (PubChem CID 98896126) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
PubChem CID98896126
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC NameN-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(N[C@H]1CCOC2(CCN(Cc3ccccc3F)CC2)C1)C1CC1
InChIInChI=1S/C19H27FN2O3S/c20-18-4-2-1-3-15(18)14-22-10-8-19(9-11-22)13-16(7-12-25-19)21-26(23,24)17-5-6-17/h1-4,16-17,21H,5-14H2/t16-/m0/s1
InChIKeyLOCLUGYQSCZHAC-INIZCTEOSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(N-cyclopropylmethanesulfonamido)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919922
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

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide (CID 98896126) is N-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide is O=S(=O)(N[C@H]1CCOC2(CCN(Cc3ccccc3F)CC2)C1)C1CC1.
What is the InChIKey of N-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
The InChIKey is LOCLUGYQSCZHAC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c20-18-4-2-1-3-15(18)14-22-10-8-19(9-11-22)13-16(7-12-25-19)21-26(23,24)17-5-6-17/h1-4,16-17,21H,5-14H2/t16-/m0/s1.
What are the key properties of N-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
N-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide has a molecular weight of 382.50 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 98896126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).