N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide

C16H22N2OS — CID 95630149

IUPACN-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide
SMILESC[C@H]1SCCN(CC(=O)NC2CC2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H22N2OS/c1-12-16(13-5-3-2-4-6-13)18(9-10-20-12)11-15(19)17-14-7-8-14/h2-6,12,14,16H,7-11H2,1H3,(H,17,19)/t12-,16+/m1/s1
InChIKeyAYTSMAUVOSYRSP-WBMJQRKESA-N
MW290.43 g/mol
LogP2.44
Rot. Bonds4

About N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide

N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide (PubChem CID 95630149) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide
PubChem CID95630149
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide
SMILESC[C@H]1SCCN(CC(=O)NC2CC2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H22N2OS/c1-12-16(13-5-3-2-4-6-13)18(9-10-20-12)11-15(19)17-14-7-8-14/h2-6,12,14,16H,7-11H2,1H3,(H,17,19)/t12-,16+/m1/s1
InChIKeyAYTSMAUVOSYRSP-WBMJQRKESA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine
CID 119931929
N-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide
CID 95630156
N-cyclopropyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide
CID 92711438
1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione
CID 95630129
[1-[(2S,3S)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea
CID 124589127
[1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea
CID 124589130
N-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide
CID 100849239
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
2-methyl-5-[(2-methyl-3-phenylthiomorpholin-4-yl)methyl]-1,3,4-oxadiazole
CID 56792507
[5-[(2R,3S)-2-methyl-3-phenylthiomorpholin-4-yl]-5-oxopentyl]urea
CID 124567149
N-cyclopropyl-2-phenylacetamide
CID 5175687
3-cyclopropyl-5-[[(2S,3S)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]-1,2,4-oxadiazole
CID 95630116

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide (CID 95630149) is N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide is C[C@H]1SCCN(CC(=O)NC2CC2)[C@@H]1c1ccccc1.
What is the InChIKey of N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide?
The InChIKey is AYTSMAUVOSYRSP-WBMJQRKESA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12-16(13-5-3-2-4-6-13)18(9-10-20-12)11-15(19)17-14-7-8-14/h2-6,12,14,16H,7-11H2,1H3,(H,17,19)/t12-,16+/m1/s1.
What are the key properties of N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide?
N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide has a molecular weight of 290.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide is sourced from PubChem (CID 95630149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).