thiomorpholine-3-carbohydrazide

C5H11N3OS — CID 14045872

IUPACthiomorpholine-3-carbohydrazide
SMILESNNC(=O)C1CSCCN1
InChIInChI=1S/C5H11N3OS/c6-8-5(9)4-3-10-2-1-7-4/h4,7H,1-3,6H2,(H,8,9)
InChIKeyKKXFIMLDHBXEIN-UHFFFAOYSA-N
MW161.23 g/mol
LogP-1.32
Rot. Bonds1

About thiomorpholine-3-carbohydrazide

thiomorpholine-3-carbohydrazide (PubChem CID 14045872) has the molecular formula C5H11N3OS and a molecular weight of 161.23 g/mol. Its IUPAC name is thiomorpholine-3-carbohydrazide.

Molecular Properties

Compound Namethiomorpholine-3-carbohydrazide
PubChem CID14045872
Molecular FormulaC5H11N3OS
Molecular Weight161.23 g/mol
Exact Mass161.06
IUPAC Namethiomorpholine-3-carbohydrazide
SMILESNNC(=O)C1CSCCN1
InChIInChI=1S/C5H11N3OS/c6-8-5(9)4-3-10-2-1-7-4/h4,7H,1-3,6H2,(H,8,9)
InChIKeyKKXFIMLDHBXEIN-UHFFFAOYSA-N
XLogP-1.32
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-thiomorpholine-3-carboxamide
CID 41097978
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-(2-adamantyl)thiomorpholine-3-carboxamide
CID 82909198
N-(3-tricyclo[3.2.1.02,4]octanyl)thiomorpholine-3-carboxamide
CID 114096106
N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide
CID 82905560
N-[1-(hydroxymethyl)cyclopentyl]thiomorpholine-3-carboxamide
CID 82908673
N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884
N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide
CID 106291830
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166

Frequently Asked Questions

What is the IUPAC name of thiomorpholine-3-carbohydrazide?
The IUPAC name of thiomorpholine-3-carbohydrazide (CID 14045872) is thiomorpholine-3-carbohydrazide.
What is the SMILES notation for thiomorpholine-3-carbohydrazide?
The canonical SMILES for thiomorpholine-3-carbohydrazide is NNC(=O)C1CSCCN1.
What is the InChIKey of thiomorpholine-3-carbohydrazide?
The InChIKey is KKXFIMLDHBXEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3OS/c6-8-5(9)4-3-10-2-1-7-4/h4,7H,1-3,6H2,(H,8,9).
What are the key properties of thiomorpholine-3-carbohydrazide?
thiomorpholine-3-carbohydrazide has a molecular weight of 161.23 g/mol, XLogP of -1.32, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholine-3-carbohydrazide is sourced from PubChem (CID 14045872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).