(2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide

C16H22N2OS — CID 100850678

IUPAC(2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide
SMILESC[C@@H](C(=O)NC1CC1)N1CCS[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H22N2OS/c1-12(16(19)17-14-7-8-14)18-9-10-20-15(11-18)13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3,(H,17,19)/t12-,15+/m0/s1
InChIKeyZKVZAHMBQFAOIB-SWLSCSKDSA-N
MW290.43 g/mol
LogP2.44
Rot. Bonds4

About (2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide

(2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide (PubChem CID 100850678) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide
PubChem CID100850678
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide
SMILESC[C@@H](C(=O)NC1CC1)N1CCS[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H22N2OS/c1-12(16(19)17-14-7-8-14)18-9-10-20-15(11-18)13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3,(H,17,19)/t12-,15+/m0/s1
InChIKeyZKVZAHMBQFAOIB-SWLSCSKDSA-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-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)propanamide
CID 120761631
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
N-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide
CID 51329077
methyl 2-[(2S)-2-phenylthiomorpholin-4-yl]acetate
CID 95629932
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(thian-4-yl)propanamide
CID 56786129
(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51500739
(2R)-N-phenyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 125483089
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide
CID 86972360
N-cyclopropyl-2-(3-hydroxyazetidin-1-yl)propanamide
CID 63282376
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95272026
N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide
CID 55544187

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide (CID 100850678) is (2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide is C[C@@H](C(=O)NC1CC1)N1CCS[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide?
The InChIKey is ZKVZAHMBQFAOIB-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12(16(19)17-14-7-8-14)18-9-10-20-15(11-18)13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3,(H,17,19)/t12-,15+/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide?
(2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide 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 (2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide is sourced from PubChem (CID 100850678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).