N-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)acetamide

C6H13N3O2S — CID 2762577

IUPACN-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)acetamide
SMILESCC(=O)NC(CCS)C(=O)NN
InChIInChI=1S/C6H13N3O2S/c1-4(10)8-5(2-3-12)6(11)9-7/h5,12H,2-3,7H2,1H3,(H,8,10)(H,9,11)
InChIKeyCRMPEIJSRPNMRH-UHFFFAOYSA-N
MW191.26 g/mol
LogP-1.20
Rot. Bonds4

About N-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)acetamide

N-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)acetamide (PubChem CID 2762577) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is N-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)acetamide
PubChem CID2762577
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC NameN-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)acetamide
SMILESCC(=O)NC(CCS)C(=O)NN
InChIInChI=1S/C6H13N3O2S/c1-4(10)8-5(2-3-12)6(11)9-7/h5,12H,2-3,7H2,1H3,(H,8,10)(H,9,11)
InChIKeyCRMPEIJSRPNMRH-UHFFFAOYSA-N
XLogP-1.20
TPSA84.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)acetamide?
The IUPAC name of N-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)acetamide (CID 2762577) is N-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)acetamide.
What is the SMILES notation for N-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)acetamide?
The canonical SMILES for N-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)acetamide is CC(=O)NC(CCS)C(=O)NN.
What is the InChIKey of N-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)acetamide?
The InChIKey is CRMPEIJSRPNMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c1-4(10)8-5(2-3-12)6(11)9-7/h5,12H,2-3,7H2,1H3,(H,8,10)(H,9,11).
What are the key properties of N-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)acetamide?
N-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)acetamide has a molecular weight of 191.26 g/mol, XLogP of -1.20, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydrazinyl-1-oxo-4-sulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 2762577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).