4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one

C15H22N2OS — CID 120559857

IUPAC4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one
SMILESCC(N)CCC(=O)N1CCSCC1c1ccccc1
InChIInChI=1S/C15H22N2OS/c1-12(16)7-8-15(18)17-9-10-19-11-14(17)13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3
InChIKeyGIUUDRFPHOQBHJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.43
Rot. Bonds4

About 4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one

4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one (PubChem CID 120559857) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one
PubChem CID120559857
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one
SMILESCC(N)CCC(=O)N1CCSCC1c1ccccc1
InChIInChI=1S/C15H22N2OS/c1-12(16)7-8-15(18)17-9-10-19-11-14(17)13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3
InChIKeyGIUUDRFPHOQBHJ-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(S)-2-((R)-2-Amino-3-mercapto-propylamino)-pentanoic acid benzylamide
CID 10040179
2-Phenylthiomorpholin-3-one
CID 2778760
3-(Acetylsulfanyl)-N-benzyl-2-methylpropanimidic acid
CID 2828749
N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one (CID 120559857) is 4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one is CC(N)CCC(=O)N1CCSCC1c1ccccc1.
What is the InChIKey of 4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one?
The InChIKey is GIUUDRFPHOQBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12(16)7-8-15(18)17-9-10-19-11-14(17)13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3.
What are the key properties of 4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one?
4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one has a molecular weight of 278.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one is sourced from PubChem (CID 120559857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).