1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]

C22H27NO3S — CID 170540669

IUPAC1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
SMILESCOC(C)(C)c1ccc(S(=O)(=O)N2CC3(CCCC3)c3ccccc32)cc1
InChIInChI=1S/C22H27NO3S/c1-21(2,26-3)17-10-12-18(13-11-17)27(24,25)23-16-22(14-6-7-15-22)19-8-4-5-9-20(19)23/h4-5,8-13H,6-7,14-16H2,1-3H3
InChIKeyOHTBIKOOXXWCLT-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.59
Rot. Bonds4

About 1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]

1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane] (PubChem CID 170540669) has the molecular formula C22H27NO3S and a molecular weight of 385.53 g/mol. Its IUPAC name is 1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane].

Molecular Properties

Compound Name1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
PubChem CID170540669
Molecular FormulaC22H27NO3S
Molecular Weight385.53 g/mol
Exact Mass385.17
IUPAC Name1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
SMILESCOC(C)(C)c1ccc(S(=O)(=O)N2CC3(CCCC3)c3ccccc32)cc1
InChIInChI=1S/C22H27NO3S/c1-21(2,26-3)17-10-12-18(13-11-17)27(24,25)23-16-22(14-6-7-15-22)19-8-4-5-9-20(19)23/h4-5,8-13H,6-7,14-16H2,1-3H3
InChIKeyOHTBIKOOXXWCLT-UHFFFAOYSA-N
XLogP4.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclohexane]
CID 174158811
1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylsulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540811
1-[3-(2,2-difluorocyclopropyl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540780
1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole
CID 110669474
1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
CID 102449182
2-amino-N-[1-[1-(benzenesulfonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 19030533
phenyl N-[1-[4-(difluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-yl]carbamate
CID 170540774
1'-(benzenesulfonyl)spiro[1,3-dihydropyrrolizine-2,3'-2H-indole]
CID 14931608
5-methyl-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylfuran-2-carboxylic acid
CID 91643764
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 11567186
7-fluoro-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 167859735
4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
CID 91938897

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]?
The IUPAC name of 1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane] (CID 170540669) is 1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane].
What is the SMILES notation for 1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]?
The canonical SMILES for 1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane] is COC(C)(C)c1ccc(S(=O)(=O)N2CC3(CCCC3)c3ccccc32)cc1.
What is the InChIKey of 1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]?
The InChIKey is OHTBIKOOXXWCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3S/c1-21(2,26-3)17-10-12-18(13-11-17)27(24,25)23-16-22(14-6-7-15-22)19-8-4-5-9-20(19)23/h4-5,8-13H,6-7,14-16H2,1-3H3.
What are the key properties of 1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]?
1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane] has a molecular weight of 385.53 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane] is sourced from PubChem (CID 170540669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).