2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide

C11H21N3O3S — CID 114234623

IUPAC2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSCC1CCC(C(=O)NN)O1
InChIInChI=1S/C11H21N3O3S/c1-2-5-13-10(15)7-18-6-8-3-4-9(17-8)11(16)14-12/h8-9H,2-7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeySQDJDJUPRTWARO-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.22
Rot. Bonds7

About 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide

2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide (PubChem CID 114234623) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide
PubChem CID114234623
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSCC1CCC(C(=O)NN)O1
InChIInChI=1S/C11H21N3O3S/c1-2-5-13-10(15)7-18-6-8-3-4-9(17-8)11(16)14-12/h8-9H,2-7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeySQDJDJUPRTWARO-UHFFFAOYSA-N
XLogP-0.22
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-[[Methyl(thiolan-3-yl)amino]methyl]oxolane-2-carbohydrazide
CID 55213440
5-(Thiomorpholin-4-ylmethyl)oxolane-2-carbohydrazide
CID 63571190
5-(1,4-Thiazepan-4-ylmethyl)oxolane-2-carbohydrazide
CID 63578592
5-(Butylsulfanylmethyl)oxolane-2-carbohydrazide
CID 63580302
5-(2-Methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide
CID 63580661
5-(Butan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide
CID 63581000
5-(Tert-butylsulfanylmethyl)oxolane-2-carbohydrazide
CID 63581177
5-(Propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide
CID 63581975
5-(2-Aminoethylsulfanylmethyl)oxolane-2-carbohydrazide
CID 63582219
5-(Propylsulfanylmethyl)oxolane-2-carbohydrazide
CID 63582484
5-(Ethylsulfanylmethyl)oxolane-2-carbohydrazide
CID 63582857
5-(2-Methylpropylsulfanylmethyl)oxolane-2-carbohydrazide
CID 63582871

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide?
The IUPAC name of 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide (CID 114234623) is 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide is CCCNC(=O)CSCC1CCC(C(=O)NN)O1.
What is the InChIKey of 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide?
The InChIKey is SQDJDJUPRTWARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-2-5-13-10(15)7-18-6-8-3-4-9(17-8)11(16)14-12/h8-9H,2-7,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide?
2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide has a molecular weight of 275.37 g/mol, XLogP of -0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methylsulfanyl]-N-propylacetamide is sourced from PubChem (CID 114234623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).