7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one

C17H26N2OS — CID 119708915

IUPAC7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one
SMILESNCCCCCCC(=O)N1CCSCC1c1ccccc1
InChIInChI=1S/C17H26N2OS/c18-11-7-2-1-6-10-17(20)19-12-13-21-14-16(19)15-8-4-3-5-9-15/h3-5,8-9,16H,1-2,6-7,10-14,18H2
InChIKeyWPNMUELEURKTMZ-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.21
Rot. Bonds7

About 7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one

7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one (PubChem CID 119708915) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one.

Molecular Properties

Compound Name7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one
PubChem CID119708915
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one
SMILESNCCCCCCC(=O)N1CCSCC1c1ccccc1
InChIInChI=1S/C17H26N2OS/c18-11-7-2-1-6-10-17(20)19-12-13-21-14-16(19)15-8-4-3-5-9-15/h3-5,8-9,16H,1-2,6-7,10-14,18H2
InChIKeyWPNMUELEURKTMZ-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride
CID 119793251
2-amino-1-(3-phenylthiomorpholin-4-yl)ethanone;hydrochloride
CID 119281363
6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 43579532
4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one
CID 120559857
7-amino-1-(2-phenylazepan-1-yl)heptan-1-one
CID 119737777
4-amino-3-methoxy-1-(3-phenylthiomorpholin-4-yl)butan-1-one;hydrochloride
CID 120588087
7-amino-1-(2-benzylpyrrolidin-1-yl)heptan-1-one
CID 60940295
1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119708943
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 79199360
7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride
CID 119810095
7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
CID 54871536

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one?
The IUPAC name of 7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one (CID 119708915) is 7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one.
What is the SMILES notation for 7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one?
The canonical SMILES for 7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one is NCCCCCCC(=O)N1CCSCC1c1ccccc1.
What is the InChIKey of 7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one?
The InChIKey is WPNMUELEURKTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c18-11-7-2-1-6-10-17(20)19-12-13-21-14-16(19)15-8-4-3-5-9-15/h3-5,8-9,16H,1-2,6-7,10-14,18H2.
What are the key properties of 7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one?
7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one has a molecular weight of 306.47 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one is sourced from PubChem (CID 119708915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).