3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone

C15H19NOS — CID 116916957

IUPAC3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCS2)C1CCNCC1
InChIInChI=1S/C15H19NOS/c17-15(11-5-7-16-8-6-11)13-3-4-14-12(10-13)2-1-9-18-14/h3-4,10-11,16H,1-2,5-9H2
InChIKeyDWCKEFRXRFWXOA-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.91
Rot. Bonds2

About 3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone

3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone (PubChem CID 116916957) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone
PubChem CID116916957
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCS2)C1CCNCC1
InChIInChI=1S/C15H19NOS/c17-15(11-5-7-16-8-6-11)13-3-4-14-12(10-13)2-1-9-18-14/h3-4,10-11,16H,1-2,5-9H2
InChIKeyDWCKEFRXRFWXOA-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-thiochromene-6-carbonyl chloride
CID 54051226
1-[4-(3,4-dihydro-2H-thiochromene-6-carbonyl)piperazin-1-yl]ethanone
CID 110766649
2-hydroxyethyl 3,4-dihydro-2H-thiochromene-6-carboxylate
CID 116862954
(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 13180305
1-piperazin-1-ylethanone;N-(4-sulfanylphenyl)-3,4-dihydro-2H-thiochromene-6-carboxamide
CID 162521599
cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 116613110
cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 116612878
cyclopentyl(2,3-dihydro-1H-indol-5-yl)methanone
CID 39243587
N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine
CID 115118884
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
CID 116568338
4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine
CID 84796490
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-4-yl)methanone
CID 24688672

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone (CID 116916957) is 3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone is O=C(c1ccc2c(c1)CCCS2)C1CCNCC1.
What is the InChIKey of 3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone?
The InChIKey is DWCKEFRXRFWXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c17-15(11-5-7-16-8-6-11)13-3-4-14-12(10-13)2-1-9-18-14/h3-4,10-11,16H,1-2,5-9H2.
What are the key properties of 3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone?
3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone has a molecular weight of 261.39 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiochromen-6-yl(piperidin-4-yl)methanone is sourced from PubChem (CID 116916957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).