[1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine

C10H17ClN2O2S2 — CID 103408445

IUPAC[1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine
SMILESCc1csc(C(CCCS(C)(=O)=O)NN)c1Cl
InChIInChI=1S/C10H17ClN2O2S2/c1-7-6-16-10(9(7)11)8(13-12)4-3-5-17(2,14)15/h6,8,13H,3-5,12H2,1-2H3
InChIKeyRWOKBARLJDCSKZ-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.04
Rot. Bonds6

About [1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine

[1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine (PubChem CID 103408445) has the molecular formula C10H17ClN2O2S2 and a molecular weight of 296.85 g/mol. Its IUPAC name is [1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine
PubChem CID103408445
Molecular FormulaC10H17ClN2O2S2
Molecular Weight296.85 g/mol
Exact Mass296.04
IUPAC Name[1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine
SMILESCc1csc(C(CCCS(C)(=O)=O)NN)c1Cl
InChIInChI=1S/C10H17ClN2O2S2/c1-7-6-16-10(9(7)11)8(13-12)4-3-5-17(2,14)15/h6,8,13H,3-5,12H2,1-2H3
InChIKeyRWOKBARLJDCSKZ-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.04
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-(3-chloro-4-methylthiophen-2-yl)hexylhydrazine
CID 103408484
1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine
CID 103408474
1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 103406210
1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 103406216
[1-(2,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290842
[1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290938
[1-(3,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290819
[1-(4-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105279776
[1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105252974
[1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290996
[1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine
CID 105291025
[2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethyl]hydrazine
CID 103408502

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine (CID 103408445) is [1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine is Cc1csc(C(CCCS(C)(=O)=O)NN)c1Cl.
What is the InChIKey of [1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine?
The InChIKey is RWOKBARLJDCSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2S2/c1-7-6-16-10(9(7)11)8(13-12)4-3-5-17(2,14)15/h6,8,13H,3-5,12H2,1-2H3.
What are the key properties of [1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine?
[1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine has a molecular weight of 296.85 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine is sourced from PubChem (CID 103408445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).