[1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine

C9H15ClN2O2S2 — CID 105295975

IUPAC[1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine
SMILESCC(C(Cc1ccc(Cl)s1)NN)S(C)(=O)=O
InChIInChI=1S/C9H15ClN2O2S2/c1-6(16(2,13)14)8(12-11)5-7-3-4-9(10)15-7/h3-4,6,8,12H,5,11H2,1-2H3
InChIKeyULPQODLYQBBICS-UHFFFAOYSA-N
MW282.82 g/mol
LogP1.21
Rot. Bonds5

About [1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine

[1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine (PubChem CID 105295975) has the molecular formula C9H15ClN2O2S2 and a molecular weight of 282.82 g/mol. Its IUPAC name is [1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine
PubChem CID105295975
Molecular FormulaC9H15ClN2O2S2
Molecular Weight282.82 g/mol
Exact Mass282.03
IUPAC Name[1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine
SMILESCC(C(Cc1ccc(Cl)s1)NN)S(C)(=O)=O
InChIInChI=1S/C9H15ClN2O2S2/c1-6(16(2,13)14)8(12-11)5-7-3-4-9(10)15-7/h3-4,6,8,12H,5,11H2,1-2H3
InChIKeyULPQODLYQBBICS-UHFFFAOYSA-N
XLogP1.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-chlorothiophen-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105199674
[1-(2,5-dichlorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105309866
[3-(5-chlorothiophen-2-yl)-1-ethoxy-1-phenylpropan-2-yl]hydrazine
CID 105279353
[1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105296073
3-(5-chlorothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244888
1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine
CID 115841703
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine
CID 79616113
1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine
CID 63560615
[2-(5-chlorothiophen-2-yl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105295997
[1-(5-chlorothiophen-2-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105295965
1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine
CID 115842626
3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202609

Frequently Asked Questions

What is the IUPAC name of [1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine?
The IUPAC name of [1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine (CID 105295975) is [1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine is CC(C(Cc1ccc(Cl)s1)NN)S(C)(=O)=O.
What is the InChIKey of [1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine?
The InChIKey is ULPQODLYQBBICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2S2/c1-6(16(2,13)14)8(12-11)5-7-3-4-9(10)15-7/h3-4,6,8,12H,5,11H2,1-2H3.
What are the key properties of [1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine?
[1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine has a molecular weight of 282.82 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine is sourced from PubChem (CID 105295975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).