1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C15H21NOS — CID 172905950

IUPAC1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESc1cc2c(s1)C1(CCN(CC3CC3)CC1)OCC2
InChIInChI=1S/C15H21NOS/c1-2-12(1)11-16-7-5-15(6-8-16)14-13(3-9-17-15)4-10-18-14/h4,10,12H,1-3,5-9,11H2
InChIKeyFVVSLNVOKMFLTA-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.02
Rot. Bonds2

About 1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 172905950) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID172905950
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESc1cc2c(s1)C1(CCN(CC3CC3)CC1)OCC2
InChIInChI=1S/C15H21NOS/c1-2-12(1)11-16-7-5-15(6-8-16)14-13(3-9-17-15)4-10-18-14/h4,10,12H,1-3,5-9,11H2
InChIKeyFVVSLNVOKMFLTA-UHFFFAOYSA-N
XLogP3.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 172905950) is 1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is c1cc2c(s1)C1(CCN(CC3CC3)CC1)OCC2.
What is the InChIKey of 1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is FVVSLNVOKMFLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-12(1)11-16-7-5-15(6-8-16)14-13(3-9-17-15)4-10-18-14/h4,10,12H,1-3,5-9,11H2.
What are the key properties of 1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 263.41 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 172905950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).