N'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide

C10H17N5OS — CID 76952268

IUPACN'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide
SMILESCc1nn(C)c(N2CCSCC2)c1C(N)=NO
InChIInChI=1S/C10H17N5OS/c1-7-8(9(11)13-16)10(14(2)12-7)15-3-5-17-6-4-15/h16H,3-6H2,1-2H3,(H2,11,13)
InChIKeyKXYFMILOMUJNQN-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.38
Rot. Bonds2

About N'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide

N'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide (PubChem CID 76952268) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is N'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide
PubChem CID76952268
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC NameN'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide
SMILESCc1nn(C)c(N2CCSCC2)c1C(N)=NO
InChIInChI=1S/C10H17N5OS/c1-7-8(9(11)13-16)10(14(2)12-7)15-3-5-17-6-4-15/h16H,3-6H2,1-2H3,(H2,11,13)
InChIKeyKXYFMILOMUJNQN-UHFFFAOYSA-N
XLogP0.38
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide?
The IUPAC name of N'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide (CID 76952268) is N'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide is Cc1nn(C)c(N2CCSCC2)c1C(N)=NO.
What is the InChIKey of N'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide?
The InChIKey is KXYFMILOMUJNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-7-8(9(11)13-16)10(14(2)12-7)15-3-5-17-6-4-15/h16H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide?
N'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide has a molecular weight of 255.35 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide is sourced from PubChem (CID 76952268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).