methyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate

C14H20N2O3S2 — CID 107778289

IUPACmethyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCc2cc(C(=O)NN)sc2C)CC1
InChIInChI=1S/C14H20N2O3S2/c1-9-10(5-11(21-9)13(18)16-15)7-20-8-14(3-4-14)6-12(17)19-2/h5H,3-4,6-8,15H2,1-2H3,(H,16,18)
InChIKeyVYSGHDKFUVTMQB-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.24
Rot. Bonds7

About methyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate

methyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate (PubChem CID 107778289) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is methyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate
PubChem CID107778289
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Namemethyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCc2cc(C(=O)NN)sc2C)CC1
InChIInChI=1S/C14H20N2O3S2/c1-9-10(5-11(21-9)13(18)16-15)7-20-8-14(3-4-14)6-12(17)19-2/h5H,3-4,6-8,15H2,1-2H3,(H,16,18)
InChIKeyVYSGHDKFUVTMQB-UHFFFAOYSA-N
XLogP2.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide
CID 80745366
methyl 2-[1-[(3,5-dimethylphenyl)methylsulfanylmethyl]cyclopropyl]acetate
CID 114000231
methyl 2-[1-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanylmethyl]cyclopropyl]acetate
CID 107778301
methyl 2-[1-[(5-bromo-2-methoxyphenyl)methylsulfanylmethyl]cyclopropyl]acetate
CID 107776410
methyl 2-[1-[(5-acetyl-2-hydroxyphenyl)methylsulfanylmethyl]cyclopropyl]acetate
CID 107777644
methyl 2-[1-(pyrimidin-2-ylmethylsulfanylmethyl)cyclopropyl]acetate
CID 107776125
methyl 2-[1-[(5-methylfuran-2-yl)methylsulfanylmethyl]cyclopropyl]acetate
CID 107775939
methyl 2-[1-[(3-amino-5-methoxyphenyl)methylsulfanylmethyl]cyclopropyl]acetate
CID 107777364
methyl 2-[1-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)cyclopropyl]acetate
CID 107776119
5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 80746056
methyl 2-[1-[(3,4-difluorophenyl)methylsulfanylmethyl]cyclopropyl]acetate
CID 114000207
methyl 2-[1-[(4-amino-2-pyridinyl)methylsulfanylmethyl]cyclopropyl]acetate
CID 107778138

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate (CID 107778289) is methyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate is COC(=O)CC1(CSCc2cc(C(=O)NN)sc2C)CC1.
What is the InChIKey of methyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate?
The InChIKey is VYSGHDKFUVTMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-9-10(5-11(21-9)13(18)16-15)7-20-8-14(3-4-14)6-12(17)19-2/h5H,3-4,6-8,15H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate?
methyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate has a molecular weight of 328.46 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107778289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).