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

C18H20ClNO3S2 — CID 164690045

IUPAC1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESO=S(=O)(Cc1ccccc1Cl)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C18H20ClNO3S2/c19-16-4-2-1-3-15(16)13-25(21,22)20-9-7-18(8-10-20)17-14(5-11-23-18)6-12-24-17/h1-4,6,12H,5,7-11,13H2
InChIKeyGDSUASAUVYDPOW-UHFFFAOYSA-N
MW397.95 g/mol
LogP3.80
Rot. Bonds3

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

1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 164690045) has the molecular formula C18H20ClNO3S2 and a molecular weight of 397.95 g/mol. Its IUPAC name is 1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID164690045
Molecular FormulaC18H20ClNO3S2
Molecular Weight397.95 g/mol
Exact Mass397.06
IUPAC Name1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESO=S(=O)(Cc1ccccc1Cl)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C18H20ClNO3S2/c19-16-4-2-1-3-15(16)13-25(21,22)20-9-7-18(8-10-20)17-14(5-11-23-18)6-12-24-17/h1-4,6,12H,5,7-11,13H2
InChIKeyGDSUASAUVYDPOW-UHFFFAOYSA-N
XLogP3.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
CID 110738679
cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 127770868
1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 172905950
1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
CID 119959043
1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 135118729
4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide
CID 163309965
1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
CID 110868589
1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721356
4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine
CID 110292466
N-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide
CID 139010678
1'-(benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164696246
1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole
CID 110316048

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 164690045) is 1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is O=S(=O)(Cc1ccccc1Cl)N1CCC2(CC1)OCCc1ccsc12.
What is the InChIKey of 1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is GDSUASAUVYDPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S2/c19-16-4-2-1-3-15(16)13-25(21,22)20-9-7-18(8-10-20)17-14(5-11-23-18)6-12-24-17/h1-4,6,12H,5,7-11,13H2.
What are the key properties of 1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 397.95 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 164690045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).