N-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide

C16H24N2O2S — CID 52711041

IUPACN-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide
SMILESO=C(NCCCOCCc1ccccc1)N1CCSCC1
InChIInChI=1S/C16H24N2O2S/c19-16(18-9-13-21-14-10-18)17-8-4-11-20-12-7-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2,(H,17,19)
InChIKeyQEALCVNMWNMQQI-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.39
Rot. Bonds7

About N-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide

N-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide (PubChem CID 52711041) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide
PubChem CID52711041
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide
SMILESO=C(NCCCOCCc1ccccc1)N1CCSCC1
InChIInChI=1S/C16H24N2O2S/c19-16(18-9-13-21-14-10-18)17-8-4-11-20-12-7-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2,(H,17,19)
InChIKeyQEALCVNMWNMQQI-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide
CID 55909232
4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide
CID 87036562
5-methyl-1-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122348
(1S,6S)-9-methyl-N-[3-(2-phenylethoxy)propyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 124776899
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
1-[3-(2-phenylethoxy)propyl]-3-(thiophen-2-ylmethyl)urea
CID 60530184
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CID 55473682
(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
CID 119298276
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
2-[3-(2-phenylethoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119181917

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide (CID 52711041) is N-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide is O=C(NCCCOCCc1ccccc1)N1CCSCC1.
What is the InChIKey of N-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide?
The InChIKey is QEALCVNMWNMQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-16(18-9-13-21-14-10-18)17-8-4-11-20-12-7-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2,(H,17,19).
What are the key properties of N-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide?
N-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 52711041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).