N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide

C15H23N3OS — CID 82908479

IUPACN-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide
SMILESCN(C)C(CNC(=O)C1CSCCN1)c1ccccc1
InChIInChI=1S/C15H23N3OS/c1-18(2)14(12-6-4-3-5-7-12)10-17-15(19)13-11-20-9-8-16-13/h3-7,13-14,16H,8-11H2,1-2H3,(H,17,19)
InChIKeyZYZOYKMEBVUFPO-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.11
Rot. Bonds5

About N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide

N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide (PubChem CID 82908479) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide
PubChem CID82908479
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide
SMILESCN(C)C(CNC(=O)C1CSCCN1)c1ccccc1
InChIInChI=1S/C15H23N3OS/c1-18(2)14(12-6-4-3-5-7-12)10-17-15(19)13-11-20-9-8-16-13/h3-7,13-14,16H,8-11H2,1-2H3,(H,17,19)
InChIKeyZYZOYKMEBVUFPO-UHFFFAOYSA-N
XLogP1.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119828799
N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide
CID 114423675
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
(1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98302763
N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide
CID 82909171
N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82908901
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid
CID 55128819
N-[[4-(dimethylamino)phenyl]methyl]thiomorpholine-3-carboxamide
CID 82909258
4,4-dimethyl-2-[(thiomorpholine-3-carbonylamino)methyl]pentanoic acid
CID 107475624
N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 61365271
N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide
CID 82909130

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide (CID 82908479) is N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide is CN(C)C(CNC(=O)C1CSCCN1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide?
The InChIKey is ZYZOYKMEBVUFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-18(2)14(12-6-4-3-5-7-12)10-17-15(19)13-11-20-9-8-16-13/h3-7,13-14,16H,8-11H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide?
N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).