4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride

C15H25Cl2N3OS — CID 119869740

IUPAC4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)Nc1ccccc1CN1CCSCC1
InChIInChI=1S/C15H23N3OS.2ClH/c16-7-3-6-15(19)17-14-5-2-1-4-13(14)12-18-8-10-20-11-9-18;;/h1-2,4-5H,3,6-12,16H2,(H,17,19);2*1H
InChIKeyQTZLGKPBFNOYAB-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.76
Rot. Bonds6

About 4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride

4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride (PubChem CID 119869740) has the molecular formula C15H25Cl2N3OS and a molecular weight of 366.36 g/mol. Its IUPAC name is 4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
PubChem CID119869740
Molecular FormulaC15H25Cl2N3OS
Molecular Weight366.36 g/mol
Exact Mass365.11
IUPAC Name4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)Nc1ccccc1CN1CCSCC1
InChIInChI=1S/C15H23N3OS.2ClH/c16-7-3-6-15(19)17-14-5-2-1-4-13(14)12-18-8-10-20-11-9-18;;/h1-2,4-5H,3,6-12,16H2,(H,17,19);2*1H
InChIKeyQTZLGKPBFNOYAB-UHFFFAOYSA-N
XLogP2.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119869698
4-(4-chlorophenyl)-4-oxo-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 49057882
3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 51100289
4-(4-nitroanilino)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 49057838
4-amino-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869979
2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 56539073
4-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 55204824
2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 49004814
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 43701552
2-bromo-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49005061
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 49065284
4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43704976

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride (CID 119869740) is 4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride is Cl.Cl.NCCCC(=O)Nc1ccccc1CN1CCSCC1.
What is the InChIKey of 4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride?
The InChIKey is QTZLGKPBFNOYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS.2ClH/c16-7-3-6-15(19)17-14-5-2-1-4-13(14)12-18-8-10-20-11-9-18;;/h1-2,4-5H,3,6-12,16H2,(H,17,19);2*1H.
What are the key properties of 4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride?
4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride has a molecular weight of 366.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 119869740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).