(2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide

C11H23N3O4S — CID 94120610

IUPAC(2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)CCO1
InChIInChI=1S/C11H23N3O4S/c1-10-9-14(7-8-18-10)11(15)12-5-4-6-13(2)19(3,16)17/h10H,4-9H2,1-3H3,(H,12,15)/t10-/m0/s1
InChIKeyYOXVWLJKLSOOPM-JTQLQIEISA-N
MW293.39 g/mol
LogP-0.30
Rot. Bonds5

About (2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide

(2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide (PubChem CID 94120610) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is (2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide
PubChem CID94120610
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Name(2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)CCO1
InChIInChI=1S/C11H23N3O4S/c1-10-9-14(7-8-18-10)11(15)12-5-4-6-13(2)19(3,16)17/h10H,4-9H2,1-3H3,(H,12,15)/t10-/m0/s1
InChIKeyYOXVWLJKLSOOPM-JTQLQIEISA-N
XLogP-0.30
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 95129932
(2R,6S)-2,6-dimethyl-N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]morpholine-4-carboxamide
CID 94031550
N-(2-cyclopentylethyl)-2-methylmorpholine-4-carboxamide
CID 78892468
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid
CID 106038928
2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 66435216
2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218037
N-[3-(dimethylamino)propyl]morpholine-4-carboxamide
CID 3255795
2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 106340298
(2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide
CID 94030377
N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide
CID 94178807
(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 167135155
N-cyclopropyl-2-methylmorpholine-4-carboxamide
CID 110310077

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide (CID 94120610) is (2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide is C[C@H]1CN(C(=O)NCCCN(C)S(C)(=O)=O)CCO1.
What is the InChIKey of (2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide?
The InChIKey is YOXVWLJKLSOOPM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-10-9-14(7-8-18-10)11(15)12-5-4-6-13(2)19(3,16)17/h10H,4-9H2,1-3H3,(H,12,15)/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide?
(2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide has a molecular weight of 293.39 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide is sourced from PubChem (CID 94120610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).