(2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide

C13H21N3O4S2 — CID 124982869

IUPAC(2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
SMILESCc1csc(CCNC(=O)[C@@]2(C)CN(S(C)(=O)=O)CCO2)n1
InChIInChI=1S/C13H21N3O4S2/c1-10-8-21-11(15-10)4-5-14-12(17)13(2)9-16(6-7-20-13)22(3,18)19/h8H,4-7,9H2,1-3H3,(H,14,17)/t13-/m1/s1
InChIKeyNAASFZZLPKPOKR-CYBMUJFWSA-N
MW347.46 g/mol
LogP0.16
Rot. Bonds5

About (2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide

(2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide (PubChem CID 124982869) has the molecular formula C13H21N3O4S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
PubChem CID124982869
Molecular FormulaC13H21N3O4S2
Molecular Weight347.46 g/mol
Exact Mass347.10
IUPAC Name(2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
SMILESCc1csc(CCNC(=O)[C@@]2(C)CN(S(C)(=O)=O)CCO2)n1
InChIInChI=1S/C13H21N3O4S2/c1-10-8-21-11(15-10)4-5-14-12(17)13(2)9-16(6-7-20-13)22(3,18)19/h8H,4-7,9H2,1-3H3,(H,14,17)/t13-/m1/s1
InChIKeyNAASFZZLPKPOKR-CYBMUJFWSA-N
XLogP0.16
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125023247
(2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125024983
(2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 124977452
1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 51323360
2,4-dimethyl-N-(2-thiophen-2-ylethyl)morpholine-2-carboxamide
CID 73439515
4-(N'-hydroxycarbamimidoyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide
CID 76988675
1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55174454
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
1-(N'-hydroxycarbamimidoyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 80593721
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 39071901
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63240236

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide (CID 124982869) is (2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide is Cc1csc(CCNC(=O)[C@@]2(C)CN(S(C)(=O)=O)CCO2)n1.
What is the InChIKey of (2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide?
The InChIKey is NAASFZZLPKPOKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N3O4S2/c1-10-8-21-11(15-10)4-5-14-12(17)13(2)9-16(6-7-20-13)22(3,18)19/h8H,4-7,9H2,1-3H3,(H,14,17)/t13-/m1/s1.
What are the key properties of (2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide?
(2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 124982869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).