[2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

C18H27N3O2S — CID 133357871

IUPAC[2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCSC1CCC1(O)CNc1ncccc1C(=O)N1CCCCC1
InChIInChI=1S/C18H27N3O2S/c1-2-24-15-8-9-18(15,23)13-20-16-14(7-6-10-19-16)17(22)21-11-4-3-5-12-21/h6-7,10,15,23H,2-5,8-9,11-13H2,1H3,(H,19,20)
InChIKeyBTHLWEPGRDNKCT-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.77
Rot. Bonds6

About [2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

[2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133357871) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is [2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133357871
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name[2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCSC1CCC1(O)CNc1ncccc1C(=O)N1CCCCC1
InChIInChI=1S/C18H27N3O2S/c1-2-24-15-8-9-18(15,23)13-20-16-14(7-6-10-19-16)17(22)21-11-4-3-5-12-21/h6-7,10,15,23H,2-5,8-9,11-13H2,1H3,(H,19,20)
InChIKeyBTHLWEPGRDNKCT-UHFFFAOYSA-N
XLogP2.77
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133496686
[2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133400100
2-chloro-N-[[(1R,2S)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-3-carboxamide
CID 95972424
(4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone
CID 62181639
2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383039
N-cyclohexyl-3-[[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]propanamide
CID 135089182
[2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133352672
[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62187064
[2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162177
(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051
[2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133328244
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(propylamino)-3-pyridinyl]methanone
CID 115561651

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133357871) is [2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is CCSC1CCC1(O)CNc1ncccc1C(=O)N1CCCCC1.
What is the InChIKey of [2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is BTHLWEPGRDNKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-2-24-15-8-9-18(15,23)13-20-16-14(7-6-10-19-16)17(22)21-11-4-3-5-12-21/h6-7,10,15,23H,2-5,8-9,11-13H2,1H3,(H,19,20).
What are the key properties of [2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
[2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 349.50 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133357871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).