1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C17H25NO3S2 — CID 135114608

IUPAC1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESO=S(=O)(CC1CCCC1)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C17H25NO3S2/c19-23(20,13-14-3-1-2-4-14)18-9-7-17(8-10-18)15-6-12-22-16(15)5-11-21-17/h6,12,14H,1-5,7-11,13H2
InChIKeyAEPAIXCXXINIRC-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.13
Rot. Bonds3

About 1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 135114608) has the molecular formula C17H25NO3S2 and a molecular weight of 355.53 g/mol. Its IUPAC name is 1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID135114608
Molecular FormulaC17H25NO3S2
Molecular Weight355.53 g/mol
Exact Mass355.13
IUPAC Name1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESO=S(=O)(CC1CCCC1)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C17H25NO3S2/c19-23(20,13-14-3-1-2-4-14)18-9-7-17(8-10-18)15-6-12-22-16(15)5-11-21-17/h6,12,14H,1-5,7-11,13H2
InChIKeyAEPAIXCXXINIRC-UHFFFAOYSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 135114608) is 1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is O=S(=O)(CC1CCCC1)N1CCC2(CC1)OCCc1sccc12.
What is the InChIKey of 1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is AEPAIXCXXINIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S2/c19-23(20,13-14-3-1-2-4-14)18-9-7-17(8-10-18)15-6-12-22-16(15)5-11-21-17/h6,12,14H,1-5,7-11,13H2.
What are the key properties of 1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 355.53 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopentylmethylsulfonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 135114608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).