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

C17H25N3O2S — CID 120940530

IUPAC(2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C17H25N3O2S/c1-13-16(18-5-8-22-13)17(21)19-15-4-2-3-14(11-15)12-20-6-9-23-10-7-20/h2-4,11,13,16,18H,5-10,12H2,1H3,(H,19,21)/t13-,16+/m1/s1
InChIKeyKWXSINRVYKFAPN-CJNGLKHVSA-N
MW335.47 g/mol
LogP1.55
Rot. Bonds4

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

(2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide (PubChem CID 120940530) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
PubChem CID120940530
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C17H25N3O2S/c1-13-16(18-5-8-22-13)17(21)19-15-4-2-3-14(11-15)12-20-6-9-23-10-7-20/h2-4,11,13,16,18H,5-10,12H2,1H3,(H,19,21)/t13-,16+/m1/s1
InChIKeyKWXSINRVYKFAPN-CJNGLKHVSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120939995
(2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120939329
(2R,3S)-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120929063
(2R,3S)-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]morpholine-3-carboxamide
CID 120928654
(2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide
CID 120924189
(2R,3S)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120925527
(2R,3S)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120925553
(2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120926374
(2R,3S)-2-methyl-N-[3-(2-phenoxyethoxymethyl)phenyl]morpholine-3-carboxamide
CID 120924219
(2R,3S)-2-methyl-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120917101
(2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide
CID 120917022
(2R,3S)-2-methyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120925437

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide (CID 120940530) is (2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(CN2CCSCC2)c1.
What is the InChIKey of (2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is KWXSINRVYKFAPN-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-13-16(18-5-8-22-13)17(21)19-15-4-2-3-14(11-15)12-20-6-9-23-10-7-20/h2-4,11,13,16,18H,5-10,12H2,1H3,(H,19,21)/t13-,16+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 120940530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).