N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide

C14H20N2O2S — CID 70778374

IUPACN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C14H20N2O2S/c1-10-4-2-3-5-13(10)19-9-14(18)16-11-6-7-15-8-12(11)17/h2-5,11-12,15,17H,6-9H2,1H3,(H,16,18)/t11-,12-/m1/s1
InChIKeyWRNMGCKETYIUJY-VXGBXAGGSA-N
MW280.39 g/mol
LogP0.93
Rot. Bonds4

About N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 70778374) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide
PubChem CID70778374
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C14H20N2O2S/c1-10-4-2-3-5-13(10)19-9-14(18)16-11-6-7-15-8-12(11)17/h2-5,11-12,15,17H,6-9H2,1H3,(H,16,18)/t11-,12-/m1/s1
InChIKeyWRNMGCKETYIUJY-VXGBXAGGSA-N
XLogP0.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
CID 120556800
2-(2-methylphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
CID 120600777
N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442046
2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide
CID 119450088
2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414053
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide
CID 56902915
2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450087
N-[(3R,4S)-3-hydroxypiperidin-4-yl]benzamide
CID 15096814
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide
CID 119450666
1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone
CID 82932173

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide (CID 70778374) is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)N[C@@H]1CCNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is WRNMGCKETYIUJY-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-4-2-3-5-13(10)19-9-14(18)16-11-6-7-15-8-12(11)17/h2-5,11-12,15,17H,6-9H2,1H3,(H,16,18)/t11-,12-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide?
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 280.39 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 70778374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).