(2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide

C19H29N3O2S — CID 97188095

IUPAC(2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESO=C(NCCSC1CCCCC1)[C@@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C19H29N3O2S/c23-19(21-9-14-25-17-6-2-1-3-7-17)18(16-5-4-8-20-15-16)22-10-12-24-13-11-22/h4-5,8,15,17-18H,1-3,6-7,9-14H2,(H,21,23)/t18-/m1/s1
InChIKeyPIVGPTGIEKOHBN-GOSISDBHSA-N
MW363.53 g/mol
LogP2.64
Rot. Bonds7

About (2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide

(2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide (PubChem CID 97188095) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is (2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name(2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
PubChem CID97188095
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name(2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESO=C(NCCSC1CCCCC1)[C@@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C19H29N3O2S/c23-19(21-9-14-25-17-6-2-1-3-7-17)18(16-5-4-8-20-15-16)22-10-12-24-13-11-22/h4-5,8,15,17-18H,1-3,6-7,9-14H2,(H,21,23)/t18-/m1/s1
InChIKeyPIVGPTGIEKOHBN-GOSISDBHSA-N
XLogP2.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72883606
N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72920922
N-[2-(dimethylsulfamoyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 74234487
(2R)-N-[2-(2-fluorophenyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97192696
N-[2-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72889150
N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 56755952
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72936879
(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97268430
N-(2-ethylsulfanylphenyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 131917262
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97125327
(2R)-N-[2-(2-methylindol-1-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97208959
(2R)-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 97207664

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The IUPAC name of (2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide (CID 97188095) is (2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide.
What is the SMILES notation for (2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The canonical SMILES for (2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide is O=C(NCCSC1CCCCC1)[C@@H](c1cccnc1)N1CCOCC1.
What is the InChIKey of (2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The InChIKey is PIVGPTGIEKOHBN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29N3O2S/c23-19(21-9-14-25-17-6-2-1-3-7-17)18(16-5-4-8-20-15-16)22-10-12-24-13-11-22/h4-5,8,15,17-18H,1-3,6-7,9-14H2,(H,21,23)/t18-/m1/s1.
What are the key properties of (2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
(2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide has a molecular weight of 363.53 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 97188095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).