N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide

C20H30N2O3S — CID 131654115

IUPACN-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC2(CCN(CC3CCOC3)CC2)c2ccccc21
InChIInChI=1S/C20H30N2O3S/c1-2-26(23,24)21-19-13-20(18-6-4-3-5-17(18)19)8-10-22(11-9-20)14-16-7-12-25-15-16/h3-6,16,19,21H,2,7-15H2,1H3
InChIKeyHNBFXJPBZPERAW-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.44
Rot. Bonds5

About N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide

N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide (PubChem CID 131654115) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide
PubChem CID131654115
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC2(CCN(CC3CCOC3)CC2)c2ccccc21
InChIInChI=1S/C20H30N2O3S/c1-2-26(23,24)21-19-13-20(18-6-4-3-5-17(18)19)8-10-22(11-9-20)14-16-7-12-25-15-16/h3-6,16,19,21H,2,7-15H2,1H3
InChIKeyHNBFXJPBZPERAW-UHFFFAOYSA-N
XLogP2.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide
CID 134073246
3-[(1S)-1'-(cyclopentylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-di(propan-2-yl)urea
CID 59433056
N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide
CID 134077715
N-cyclobutyl-2-[(1R)-1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375917
N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 59433199
4-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine
CID 134077759
1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 118742338
1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
CID 134079358
N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159368131
2-[(1S)-1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-diethylacetamide
CID 97376186
(3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide
CID 97400207
4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine
CID 102672100

Frequently Asked Questions

What is the IUPAC name of N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide?
The IUPAC name of N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide (CID 131654115) is N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide.
What is the SMILES notation for N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide?
The canonical SMILES for N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide is CCS(=O)(=O)NC1CC2(CCN(CC3CCOC3)CC2)c2ccccc21.
What is the InChIKey of N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide?
The InChIKey is HNBFXJPBZPERAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-2-26(23,24)21-19-13-20(18-6-4-3-5-17(18)19)8-10-22(11-9-20)14-16-7-12-25-15-16/h3-6,16,19,21H,2,7-15H2,1H3.
What are the key properties of N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide?
N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide has a molecular weight of 378.54 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide is sourced from PubChem (CID 131654115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).