(4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone

C11H18N4OS — CID 65355642

IUPAC(4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2nn(C)cc2N)CC(C)S1
InChIInChI=1S/C11H18N4OS/c1-7-4-15(5-8(2)17-7)11(16)10-9(12)6-14(3)13-10/h6-8H,4-5,12H2,1-3H3
InChIKeyNXYYEANFPCFKHD-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.97
Rot. Bonds1

About (4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone

(4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone (PubChem CID 65355642) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone
PubChem CID65355642
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name(4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2nn(C)cc2N)CC(C)S1
InChIInChI=1S/C11H18N4OS/c1-7-4-15(5-8(2)17-7)11(16)10-9(12)6-14(3)13-10/h6-8H,4-5,12H2,1-3H3
InChIKeyNXYYEANFPCFKHD-UHFFFAOYSA-N
XLogP0.97
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone (CID 65355642) is (4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone is CC1CN(C(=O)c2nn(C)cc2N)CC(C)S1.
What is the InChIKey of (4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone?
The InChIKey is NXYYEANFPCFKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7-4-15(5-8(2)17-7)11(16)10-9(12)6-14(3)13-10/h6-8H,4-5,12H2,1-3H3.
What are the key properties of (4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone?
(4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone has a molecular weight of 254.36 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 65355642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).