N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide

C11H18N4OS — CID 66422463

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1[nH]ncc1CNC(=O)CC1CSCCN1
InChIInChI=1S/C11H18N4OS/c1-8-9(6-14-15-8)5-13-11(16)4-10-7-17-3-2-12-10/h6,10,12H,2-5,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyCIWXBFFNNUEYHJ-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.43
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66422463) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66422463
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1[nH]ncc1CNC(=O)CC1CSCCN1
InChIInChI=1S/C11H18N4OS/c1-8-9(6-14-15-8)5-13-11(16)4-10-7-17-3-2-12-10/h6,10,12H,2-5,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyCIWXBFFNNUEYHJ-UHFFFAOYSA-N
XLogP0.43
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide (CID 66422463) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide is Cc1[nH]ncc1CNC(=O)CC1CSCCN1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is CIWXBFFNNUEYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8-9(6-14-15-8)5-13-11(16)4-10-7-17-3-2-12-10/h6,10,12H,2-5,7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 254.36 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).