N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide

C19H31N3OS — CID 119660216

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)C(c1ccccc1)N1CCSCC1
InChIInChI=1S/C19H31N3OS/c1-15(2)17(20)9-10-21(3)19(23)18(16-7-5-4-6-8-16)22-11-13-24-14-12-22/h4-8,15,17-18H,9-14,20H2,1-3H3
InChIKeyDFBOHVOAOSJZPG-UHFFFAOYSA-N
MW349.54 g/mol
LogP2.61
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide

N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide (PubChem CID 119660216) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide
PubChem CID119660216
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)C(c1ccccc1)N1CCSCC1
InChIInChI=1S/C19H31N3OS/c1-15(2)17(20)9-10-21(3)19(23)18(16-7-5-4-6-8-16)22-11-13-24-14-12-22/h4-8,15,17-18H,9-14,20H2,1-3H3
InChIKeyDFBOHVOAOSJZPG-UHFFFAOYSA-N
XLogP2.61
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 95293657
(2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 95284461
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 51099887
N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119384567
N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide
CID 86888403
N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride
CID 119658945
(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 30740688
N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride
CID 120505334
N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 119659075
N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119996171
[2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate
CID 95635785
N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide
CID 119659415

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide (CID 119660216) is N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide is CC(C)C(N)CCN(C)C(=O)C(c1ccccc1)N1CCSCC1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide?
The InChIKey is DFBOHVOAOSJZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-15(2)17(20)9-10-21(3)19(23)18(16-7-5-4-6-8-16)22-11-13-24-14-12-22/h4-8,15,17-18H,9-14,20H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide?
N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide has a molecular weight of 349.54 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 119660216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).