N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide

C14H21N3O2S — CID 28786654

IUPACN-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide
SMILESCOc1cc(N)ccc1NC(=O)CCN1CCSCC1
InChIInChI=1S/C14H21N3O2S/c1-19-13-10-11(15)2-3-12(13)16-14(18)4-5-17-6-8-20-9-7-17/h2-3,10H,4-9,15H2,1H3,(H,16,18)
InChIKeyDCMHTXNJAAFCOP-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.65
Rot. Bonds5

About N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide

N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide (PubChem CID 28786654) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide
PubChem CID28786654
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide
SMILESCOc1cc(N)ccc1NC(=O)CCN1CCSCC1
InChIInChI=1S/C14H21N3O2S/c1-19-13-10-11(15)2-3-12(13)16-14(18)4-5-17-6-8-20-9-7-17/h2-3,10H,4-9,15H2,1H3,(H,16,18)
InChIKeyDCMHTXNJAAFCOP-UHFFFAOYSA-N
XLogP1.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 16779280
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CID 115964875
N-(5-amino-2-methylphenyl)-3-(1,4-thiazepan-4-yl)propanamide
CID 61418422
N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide
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CID 43287035
4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 106324512
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N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
N-(4-amino-2-methoxyphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
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CID 65447968
N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide (CID 28786654) is N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide is COc1cc(N)ccc1NC(=O)CCN1CCSCC1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide?
The InChIKey is DCMHTXNJAAFCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-19-13-10-11(15)2-3-12(13)16-14(18)4-5-17-6-8-20-9-7-17/h2-3,10H,4-9,15H2,1H3,(H,16,18).
What are the key properties of N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide?
N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide has a molecular weight of 295.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 28786654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).