N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide

C15H21N3O2S — CID 43542143

IUPACN-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
SMILESCC1COCCN1CCC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C15H21N3O2S/c1-11-10-20-8-7-18(11)6-5-14(19)17-13-4-2-3-12(9-13)15(16)21/h2-4,9,11H,5-8,10H2,1H3,(H2,16,21)(H,17,19)
InChIKeyGTHPCVRESGYZRA-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.37
Rot. Bonds5

About N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide

N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide (PubChem CID 43542143) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
PubChem CID43542143
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
SMILESCC1COCCN1CCC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C15H21N3O2S/c1-11-10-20-8-7-18(11)6-5-14(19)17-13-4-2-3-12(9-13)15(16)21/h2-4,9,11H,5-8,10H2,1H3,(H2,16,21)(H,17,19)
InChIKeyGTHPCVRESGYZRA-UHFFFAOYSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43613218
N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43541694
N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 24709451
N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43541688
N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103356209
N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 60973340
N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide
CID 24703120
N-(3-carbamothioylphenyl)-3-methoxypropanamide
CID 24705451
N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide
CID 24706022
3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide
CID 56914703
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-(3-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide
CID 29298836

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide?
The IUPAC name of N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide (CID 43542143) is N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide is CC1COCCN1CCC(=O)Nc1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide?
The InChIKey is GTHPCVRESGYZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11-10-20-8-7-18(11)6-5-14(19)17-13-4-2-3-12(9-13)15(16)21/h2-4,9,11H,5-8,10H2,1H3,(H2,16,21)(H,17,19).
What are the key properties of N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide?
N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide has a molecular weight of 307.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide is sourced from PubChem (CID 43542143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).