cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone

C17H23NOS — CID 110672481

IUPACcyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(CSc2ccccc2)CC1
InChIInChI=1S/C17H23NOS/c19-17(15-5-4-6-15)18-11-9-14(10-12-18)13-20-16-7-2-1-3-8-16/h1-3,7-8,14-15H,4-6,9-13H2
InChIKeyDCTBRZQXJJHNGN-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.82
Rot. Bonds4

About cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone

cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone (PubChem CID 110672481) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone
PubChem CID110672481
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Namecyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(CSc2ccccc2)CC1
InChIInChI=1S/C17H23NOS/c19-17(15-5-4-6-15)18-11-9-14(10-12-18)13-20-16-7-2-1-3-8-16/h1-3,7-8,14-15H,4-6,9-13H2
InChIKeyDCTBRZQXJJHNGN-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone
CID 110672442
N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide
CID 110672492
[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone
CID 71993968
ethyl 4-(phenylsulfanylmethyl)piperidine-1-carboxylate
CID 110672480
[4-(phenylsulfanylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84514656
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
(3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 96566331
cyclopropylmethylsulfanylbenzene
CID 579222
[4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone
CID 110661946
5-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685819
1-[3-(phenylsulfanylmethyl)piperidin-1-yl]ethanone
CID 110672438
[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 96568451

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone (CID 110672481) is cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(CSc2ccccc2)CC1.
What is the InChIKey of cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone?
The InChIKey is DCTBRZQXJJHNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c19-17(15-5-4-6-15)18-11-9-14(10-12-18)13-20-16-7-2-1-3-8-16/h1-3,7-8,14-15H,4-6,9-13H2.
What are the key properties of cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone?
cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone has a molecular weight of 289.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110672481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).