N-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide

C17H26N2O3S — CID 100616340

IUPACN-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCN1CC[C@@]2(CCOC2)C1)Cc1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-23(20,21)19(13-16-5-3-2-4-6-16)11-10-18-9-7-17(14-18)8-12-22-15-17/h2-6H,7-15H2,1H3/t17-/m1/s1
InChIKeyXTSSVBPTUQHMAA-QGZVFWFLSA-N
MW338.47 g/mol
LogP1.56
Rot. Bonds6

About N-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide

N-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide (PubChem CID 100616340) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide
PubChem CID100616340
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCN1CC[C@@]2(CCOC2)C1)Cc1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-23(20,21)19(13-16-5-3-2-4-6-16)11-10-18-9-7-17(14-18)8-12-22-15-17/h2-6H,7-15H2,1H3/t17-/m1/s1
InChIKeyXTSSVBPTUQHMAA-QGZVFWFLSA-N
XLogP1.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide
CID 110670077
N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide
CID 113138654
ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane
CID 171515874
(5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472054
N-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide
CID 132972173
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 71918194
N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 97103334
(5R)-7-ethyl-2-oxa-7-azaspiro[4.4]nonane
CID 142524383
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
CID 99855812
1-[(5S)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
CID 97472026
(5R)-9-[2-(4-benzylpiperazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97127415

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide (CID 100616340) is N-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide is CS(=O)(=O)N(CCN1CC[C@@]2(CCOC2)C1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide?
The InChIKey is XTSSVBPTUQHMAA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-23(20,21)19(13-16-5-3-2-4-6-16)11-10-18-9-7-17(14-18)8-12-22-15-17/h2-6H,7-15H2,1H3/t17-/m1/s1.
What are the key properties of N-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide?
N-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 100616340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).