N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide

C17H25N3O2S — CID 119870111

IUPACN-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide
SMILESCc1c(CN2CCSCC2)cccc1NC(=O)C1CNCCO1
InChIInChI=1S/C17H25N3O2S/c1-13-14(12-20-6-9-23-10-7-20)3-2-4-15(13)19-17(21)16-11-18-5-8-22-16/h2-4,16,18H,5-12H2,1H3,(H,19,21)
InChIKeyJVQUGPVFAKWMEN-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.47
Rot. Bonds4

About N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide

N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide (PubChem CID 119870111) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide
PubChem CID119870111
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide
SMILESCc1c(CN2CCSCC2)cccc1NC(=O)C1CNCCO1
InChIInChI=1S/C17H25N3O2S/c1-13-14(12-20-6-9-23-10-7-20)3-2-4-15(13)19-17(21)16-11-18-5-8-22-16/h2-4,16,18H,5-12H2,1H3,(H,19,21)
InChIKeyJVQUGPVFAKWMEN-UHFFFAOYSA-N
XLogP1.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]oxolane-2-carboxamide
CID 120799406
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide
CID 119810610
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide
CID 119852924
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671790
N-(2-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679075
N-(4-methoxy-2,3-dimethylphenyl)morpholine-2-carboxamide
CID 115177389
2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119870046
4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 119870105
4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120645765
3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870064
(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide
CID 95896960
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide
CID 119761357

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide (CID 119870111) is N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide is Cc1c(CN2CCSCC2)cccc1NC(=O)C1CNCCO1.
What is the InChIKey of N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide?
The InChIKey is JVQUGPVFAKWMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-13-14(12-20-6-9-23-10-7-20)3-2-4-15(13)19-17(21)16-11-18-5-8-22-16/h2-4,16,18H,5-12H2,1H3,(H,19,21).
What are the key properties of N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide?
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119870111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).