N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide

C15H22FN3OS — CID 71862958

IUPACN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide
SMILESCN(CCNC(=O)N1CCSCC1)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FN3OS/c1-18(12-13-2-4-14(16)5-3-13)7-6-17-15(20)19-8-10-21-11-9-19/h2-5H,6-12H2,1H3,(H,17,20)
InChIKeyRPWNIRIVCLZREV-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.02
Rot. Bonds5

About N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide

N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide (PubChem CID 71862958) has the molecular formula C15H22FN3OS and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide
PubChem CID71862958
Molecular FormulaC15H22FN3OS
Molecular Weight311.43 g/mol
Exact Mass311.15
IUPAC NameN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide
SMILESCN(CCNC(=O)N1CCSCC1)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FN3OS/c1-18(12-13-2-4-14(16)5-3-13)7-6-17-15(20)19-8-10-21-11-9-19/h2-5H,6-12H2,1H3,(H,17,20)
InChIKeyRPWNIRIVCLZREV-UHFFFAOYSA-N
XLogP2.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176
N-benzylpiperidine-1-carboxamide
CID 2987569
N-butyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 6467378
2-(3,5-dioxothiomorpholino)-N-(4-fluorobenzyl)acetamide
CID 2148177
N-{[(3S,4R)-1-(2,4-difluorobenzyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}-N'-methylurea
CID 91920983
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 3344552
2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4139193
4-methyl-N-(4-methylbenzyl)-1-piperazinecarboxamide
CID 851971
Cambridge id 6943365
CID 2927341
1-Piperazinecarboxamide, N-methyl-N-((methylamino)carbonyl)-4-(phenylmethyl)-
CID 3066941
(4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one
CID 155543700

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide (CID 71862958) is N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide is CN(CCNC(=O)N1CCSCC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide?
The InChIKey is RPWNIRIVCLZREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3OS/c1-18(12-13-2-4-14(16)5-3-13)7-6-17-15(20)19-8-10-21-11-9-19/h2-5H,6-12H2,1H3,(H,17,20).
What are the key properties of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide?
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 71862958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).