(1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]

C20H25NOS — CID 97415521

IUPAC(1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCO[C@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccc(C)cc21
InChIInChI=1S/C20H25NOS/c1-15-3-4-18-17(11-15)19(22-2)12-20(18)6-8-21(9-7-20)13-16-5-10-23-14-16/h3-5,10-11,14,19H,6-9,12-13H2,1-2H3/t19-/m0/s1
InChIKeyGDLUJQUMHPMSLY-IBGZPJMESA-N
MW327.49 g/mol
LogP4.68
Rot. Bonds3

About (1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]

(1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 97415521) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is (1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name(1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID97415521
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC Name(1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCO[C@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccc(C)cc21
InChIInChI=1S/C20H25NOS/c1-15-3-4-18-17(11-15)19(22-2)12-20(18)6-8-21(9-7-20)13-16-5-10-23-14-16/h3-5,10-11,14,19H,6-9,12-13H2,1-2H3/t19-/m0/s1
InChIKeyGDLUJQUMHPMSLY-IBGZPJMESA-N
XLogP4.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] with MolForge

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Related Compounds

(1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 97415529
N,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 118743828
2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 131648763
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 24643500
3-(methoxymethyl)-8-(thiophen-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155840879
2-methyl-4-[[7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-1,3-thiazole
CID 97399225
methyl 1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
CID 62027274
N-(3-chloro-4-methoxyphenyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463914
1'-ethyl-7-methyl-4-(thiophen-3-ylmethyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine];hydrochloride
CID 171667286
6,7-dimethoxy-2-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 3772747
9-[(3-fluorophenyl)methyl]-3-(thiophen-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370625

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of (1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] (CID 97415521) is (1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for (1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for (1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] is CO[C@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccc(C)cc21.
What is the InChIKey of (1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is GDLUJQUMHPMSLY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NOS/c1-15-3-4-18-17(11-15)19(22-2)12-20(18)6-8-21(9-7-20)13-16-5-10-23-14-16/h3-5,10-11,14,19H,6-9,12-13H2,1-2H3/t19-/m0/s1.
What are the key properties of (1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
(1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 327.49 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 97415521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).