(3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide

C9H18N2O2S — CID 99596683

IUPAC(3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide
SMILESCS[C@H](C)CNC(=O)[C@H]1COCCN1
InChIInChI=1S/C9H18N2O2S/c1-7(14-2)5-11-9(12)8-6-13-4-3-10-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyJUNGMODAZBQQSA-HTQZYQBOSA-N
MW218.32 g/mol
LogP-0.16
Rot. Bonds4

About (3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide

(3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide (PubChem CID 99596683) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide
PubChem CID99596683
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name(3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide
SMILESCS[C@H](C)CNC(=O)[C@H]1COCCN1
InChIInChI=1S/C9H18N2O2S/c1-7(14-2)5-11-9(12)8-6-13-4-3-10-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyJUNGMODAZBQQSA-HTQZYQBOSA-N
XLogP-0.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylsulfanylpropyl)morpholine-3-carboxamide;hydrochloride
CID 119804403
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
N-(2-hydroxy-3-methylpentyl)morpholine-3-carboxamide;hydrochloride
CID 119784019
2-hydroxy-3-(morpholine-3-carbonylamino)propanoic acid
CID 66167386
4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide
CID 114424521
N-(2-methyl-2-methylsulfanylpropyl)morpholine-3-carboxamide
CID 115739814
N-[(2R)-1-hydroxypropan-2-yl]morpholine-3-carboxamide
CID 107218691
N-(5-hydroxy-4-methylpentyl)morpholine-3-carboxamide
CID 106161275
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride
CID 119849807
(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
CID 96998631
N-(4-hydroxybutan-2-yl)morpholine-3-carboxamide
CID 83177558

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide (CID 99596683) is (3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide is CS[C@H](C)CNC(=O)[C@H]1COCCN1.
What is the InChIKey of (3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide?
The InChIKey is JUNGMODAZBQQSA-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7(14-2)5-11-9(12)8-6-13-4-3-10-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of (3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide?
(3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide has a molecular weight of 218.32 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide is sourced from PubChem (CID 99596683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).