(2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide

C14H20N2O4S — CID 124983073

IUPAC(2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
SMILESC[C@]1(C(N)=O)CN(Cc2ccc(S(C)(=O)=O)cc2)CCO1
InChIInChI=1S/C14H20N2O4S/c1-14(13(15)17)10-16(7-8-20-14)9-11-3-5-12(6-4-11)21(2,18)19/h3-6H,7-10H2,1-2H3,(H2,15,17)/t14-/m1/s1
InChIKeyNBIQNPXTXOSWQH-CQSZACIVSA-N
MW312.39 g/mol
LogP0.17
Rot. Bonds4

About (2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide

(2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 124983073) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is (2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
PubChem CID124983073
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name(2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
SMILESC[C@]1(C(N)=O)CN(Cc2ccc(S(C)(=O)=O)cc2)CCO1
InChIInChI=1S/C14H20N2O4S/c1-14(13(15)17)10-16(7-8-20-14)9-11-3-5-12(6-4-11)21(2,18)19/h3-6H,7-10H2,1-2H3,(H2,15,17)/t14-/m1/s1
InChIKeyNBIQNPXTXOSWQH-CQSZACIVSA-N
XLogP0.17
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124948384
2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid
CID 132948171
2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide
CID 110268312
3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid
CID 124945933
3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 120781709
(2R)-2-methyl-4-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-2-carboxamide
CID 95839767
(2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide
CID 95839416
2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 125020894
2-methyl-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679057
(2S)-2-methyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 92632634
2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
CID 124969662
(2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124951417

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide (CID 124983073) is (2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide is C[C@]1(C(N)=O)CN(Cc2ccc(S(C)(=O)=O)cc2)CCO1.
What is the InChIKey of (2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is NBIQNPXTXOSWQH-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-14(13(15)17)10-16(7-8-20-14)9-11-3-5-12(6-4-11)21(2,18)19/h3-6H,7-10H2,1-2H3,(H2,15,17)/t14-/m1/s1.
What are the key properties of (2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide?
(2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 124983073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).