CID 59866910

C17H24N3O3S — CID 59866910

IUPAC—
SMILESNC(=O)[CH]CSCC(=O)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H24N3O3S/c18-16(21)6-9-24-13-17(22)19-10-15-12-20(7-8-23-15)11-14-4-2-1-3-5-14/h1-6,15H,7-13H2,(H2,18,21)(H,19,22)
InChIKeyXEWOYXDEBDWJBC-UHFFFAOYSA-N
MW350.46 g/mol
LogP0.43
Rot. Bonds9

About CID 59866910

CID 59866910 (PubChem CID 59866910) has the molecular formula C17H24N3O3S and a molecular weight of 350.46 g/mol.

Molecular Properties

Compound NameCID 59866910
PubChem CID59866910
Molecular FormulaC17H24N3O3S
Molecular Weight350.46 g/mol
Exact Mass350.15
IUPAC Name—
SMILESNC(=O)[CH]CSCC(=O)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H24N3O3S/c18-16(21)6-9-24-13-17(22)19-10-15-12-20(7-8-23-15)11-14-4-2-1-3-5-14/h1-6,15H,7-13H2,(H2,18,21)(H,19,22)
InChIKeyXEWOYXDEBDWJBC-UHFFFAOYSA-N
XLogP0.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
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2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
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2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(4-benzylmorpholin-2-yl)methyl]acetamide
CID 43011478
N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 43064031
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]acetamide
CID 8006468
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide
CID 24578468
2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride
CID 119957852

Frequently Asked Questions

What is the IUPAC name of CID 59866910?
The IUPAC name of CID 59866910 (CID 59866910) is not available.
What is the SMILES notation for CID 59866910?
The canonical SMILES for CID 59866910 is NC(=O)[CH]CSCC(=O)NCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of CID 59866910?
The InChIKey is XEWOYXDEBDWJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N3O3S/c18-16(21)6-9-24-13-17(22)19-10-15-12-20(7-8-23-15)11-14-4-2-1-3-5-14/h1-6,15H,7-13H2,(H2,18,21)(H,19,22).
What are the key properties of CID 59866910?
CID 59866910 has a molecular weight of 350.46 g/mol, XLogP of 0.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59866910 is sourced from PubChem (CID 59866910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).