N-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide

C22H34N2O3S — CID 155875190

IUPACN-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC2(CCN(Cc3ccc4c(c3)CCC4)CC2)CO1
InChIInChI=1S/C22H34N2O3S/c1-2-28(25,26)23-15-21-8-9-22(17-27-21)10-12-24(13-11-22)16-18-6-7-19-4-3-5-20(19)14-18/h6-7,14,21,23H,2-5,8-13,15-17H2,1H3
InChIKeyCXBZMHBNWDTPMH-UHFFFAOYSA-N
MW406.59 g/mol
LogP2.88
Rot. Bonds6

About N-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide

N-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide (PubChem CID 155875190) has the molecular formula C22H34N2O3S and a molecular weight of 406.59 g/mol. Its IUPAC name is N-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide
PubChem CID155875190
Molecular FormulaC22H34N2O3S
Molecular Weight406.59 g/mol
Exact Mass406.23
IUPAC NameN-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC2(CCN(Cc3ccc4c(c3)CCC4)CC2)CO1
InChIInChI=1S/C22H34N2O3S/c1-2-28(25,26)23-15-21-8-9-22(17-27-21)10-12-24(13-11-22)16-18-6-7-19-4-3-5-20(19)14-18/h6-7,14,21,23H,2-5,8-13,15-17H2,1H3
InChIKeyCXBZMHBNWDTPMH-UHFFFAOYSA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.59
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide
CID 155875275
1-[(9-benzyl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-3-methylurea
CID 131642287
N-[[(5S,7S)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]ethanesulfonamide
CID 124895675
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile
CID 103993932
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26531885
8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane
CID 103998282
3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpiperazine
CID 64832099
(3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
CID 97490682
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81107910
(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173
3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine
CID 80676340
7-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 71928146

Frequently Asked Questions

What is the IUPAC name of N-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide (CID 155875190) is N-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CCC2(CCN(Cc3ccc4c(c3)CCC4)CC2)CO1.
What is the InChIKey of N-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide?
The InChIKey is CXBZMHBNWDTPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3S/c1-2-28(25,26)23-15-21-8-9-22(17-27-21)10-12-24(13-11-22)16-18-6-7-19-4-3-5-20(19)14-18/h6-7,14,21,23H,2-5,8-13,15-17H2,1H3.
What are the key properties of N-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide?
N-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide has a molecular weight of 406.59 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 155875190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).