N-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide

C13H21N5O2S — CID 124622797

IUPACN-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide
SMILESCCNC(=O)NC(=O)CN1CCSC[C@H]1c1cnn(C)c1
InChIInChI=1S/C13H21N5O2S/c1-3-14-13(20)16-12(19)8-18-4-5-21-9-11(18)10-6-15-17(2)7-10/h6-7,11H,3-5,8-9H2,1-2H3,(H2,14,16,19,20)/t11-/m0/s1
InChIKeyPYTFORXFADQKCW-NSHDSACASA-N
MW311.41 g/mol
LogP0.36
Rot. Bonds4

About N-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide

N-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide (PubChem CID 124622797) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide
PubChem CID124622797
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC NameN-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide
SMILESCCNC(=O)NC(=O)CN1CCSC[C@H]1c1cnn(C)c1
InChIInChI=1S/C13H21N5O2S/c1-3-14-13(20)16-12(19)8-18-4-5-21-9-11(18)10-6-15-17(2)7-10/h6-7,11H,3-5,8-9H2,1-2H3,(H2,14,16,19,20)/t11-/m0/s1
InChIKeyPYTFORXFADQKCW-NSHDSACASA-N
XLogP0.36
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide (CID 124622797) is N-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide is CCNC(=O)NC(=O)CN1CCSC[C@H]1c1cnn(C)c1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide?
The InChIKey is PYTFORXFADQKCW-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-3-14-13(20)16-12(19)8-18-4-5-21-9-11(18)10-6-15-17(2)7-10/h6-7,11H,3-5,8-9H2,1-2H3,(H2,14,16,19,20)/t11-/m0/s1.
What are the key properties of N-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide?
N-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide has a molecular weight of 311.41 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[(3R)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide is sourced from PubChem (CID 124622797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).